Publications

The following publications acknowledge the use of the Hoffman2 Cluster within the research process. See Acknowledging Hoffman2 to learn how to acknowledge work performed on the Hoffman2 Cluster in papers, presentations and other publications.

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Achiro, Jennifer M., Yang Tao, Fuying Gao, Chia-Ho Lin, Marika Watanabe, Sylvia Neumann, Giovanni Coppola, Douglas L. Black, and Kelsey C. Martin. “Aging Differentially Alters the Transcriptome and Landscape of Chromatin Accessibility in the Male and Female Mouse Hippocampus.” Frontiers in Molecular Neuroscience 17 (January 21, 2024). https://doi.org/10.3389/fnmol.2024.133486

“This study used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Achiro et al., 2024, p. 3).

Agarwal, Shivang. “Design and Applications of Novel Computational Methods for the Study of Quantum Properties of Emergent Nanomaterials and Biomolecules.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3067598818/abstract/857A0CCB9E64DA8PQ/1

“A lot of the simulations in this work were also performed on the Hoffman2 cluster at UCLA’s Institute for Digital Research and Education (IDRE).” (Agarwal, 2024, p. xxvii).

Agarwal, Shivang, and Amartya S. Banerjee. “Solution of the Schrödinger Equation for Quasi-One-Dimensional Materials Using Helical Waves.” Journal of Computational Physics 496 (January 1, 2024): 112551. https://doi.org/10.1016/j.jcp.2023.112551

“All simulations involving HelicES were carried out using dedicated desktop workstations (Dell Precision 7920 Tower, iMac, and iMac Pro) or on single nodes of the Hoffman2 cluster at UCLA’s Institute for Digital Research and Education (IDRE).” (Agarwal and Banerjee, 2024, p. 15).

Alhawaj, Walaa Sameer. “Theoretical Exploration of Carbon Dioxide Hydrogenation to High-Value Hydrocarbons via Heterogeneous Catalysis.” M.S., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3105620994/abstract/2E557907257E4C20PQ/1

“This work utilized the UCLA Institute for Digital Research and Education (IDRE) Hoffman2 Cluster and the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support’s (ACCESS) San Diego Supercomputer Center’s (SDSC) Expanse and Pittsburg Supercomputing Center’s (PSC) Bridges2 clusters through the allocation CHE170060.” (Alhawaj, 2024, p. xi).

Bern, Zvi, Enrico Herrmann, Radu Roiban, Michael S. Ruf, Alexander V. Smirnov, Vladimir A. Smirnov, and Mao Zeng. “Amplitudes, Supersymmetric Black Hole Scattering at \(O(G^5)\), and Loop Integration.” Journal of High Energy Physics 2024, no. 10 (October 2, 2024): 23. https://doi.org/10.1007/JHEP10(2024)023

“In addition, this work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group.” (Bern et al., 2024, p. 33).

Bhanawat, Abhinav. “Solar Radiation Transfer Through Semitransparent Scattering Media Across Length Scales.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3068717320/abstract/AFDFF0CE703C4A86PQ/1

“This work used computational and storage services associated with the Hoffman2 shared cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Bhanawat, 2024, p. xxiv).

Bhanawat, Abhinav, Ricardo Martinez, Refet Ali Yalcin, Thomas Lee, and Laurent Pilon. “Dependent Scattering and Plasmon Coupling in Concentrated Suspensions of Optically Hard Nanoparticles.” Applied Physics Letters 125, no. 2 (July 10, 2024): 021106. https://doi.org/10.1063/5.0192977

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Bhanawat et al., 2024, p. 8).

Bhimineni, Sree Harsha, Shu-Ting Ko, Casey Cornwell, Yantao Xia, Sarah H. Tolbert, Jian Luo, and Philippe Sautet. “First Principles Study of Aluminum Doped Polycrystalline Silicon as a Potential Anode Candidate in Li-Ion Batteries.” Advanced Energy Materials 14, no. 34 (September 13, 2024): 2400924. https://doi.org/10.1002/aenm.202400924

“This work utilized the computational and storage services of the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Educational Research Technology Group (IDRE).” (Bhimineni et al., 2024, p. 10).

Bøen, Rune. “Effects of Rare Recurrent Copy Number Variations on Brain Structure.” Doctoral thesis, Univeristy of Oslo, 2024. https://www.duo.uio.no/handle/10852/110516

“For study III, samples were deidentified and stored at a secure high-performance cluster (The Hoffman2 Cluster, Institute for Digital Research and Education Cluster Hosting Program).” (Bøen, 2024, p. 58)

Accepted: 2024-04-09T06:34:40Z ISBN: 9788234803819. Bonney, Matthew J., Celine Tesvara, Philippe Sautet, and Michael G. White. “Understanding the Decomposition of Dimethyl Methyl Phosphonate on Metal-Modified TiO2(110) Surfaces Using Ensembles of Product Configurations.” ACS Applied Materials & Interfaces 16, no. 19 (May 15, 2024): 25483–97. https://doi.org/10.1021/acsami.4c01250

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Office of Advanced Research Computing’s Research Technology Group.” (Bonney et al., 2024, p. 25496).

Borgini, Matteo, Qi-Nan Huang, Pan-Pan Chen, Steven J. Geib, K. N. Houk, and Peter Wipf. “Rhodium(I)-Catalyzed Annulation of Bicyclo[1.1.0]Butyl-Substituted Dihydroquinolines and Dihydropyridines.” Journal of the American Chemical Society 146, no. 22 (June 5, 2024): 14927–34. https://doi.org/10.1021/jacs.4c04081

“Calculations were performed on the IDRE Hoffman2 cluster at the University of California, Los Angeles, and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation (OCI−1053575).” (Borgini et al., 2024, p. 14933-14934).

Buth, Jessie E, Catherine E Dyevich, Alexandra Rubin, Chengbing Wang, Lei Gao, Tessa Marks, Michael RM Harrison, et al. “Foxp1 Suppresses Cortical Angiogenesis and Attenuates HIF-1alpha Signaling to Promote Neural Progenitor Cell Maintenance.” EMBO Reports 25, no. 5 (May 14, 2024): 2202–19. https://doi.org/10.1038/s44319-024-00131-8

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Buth et al., 2024, p. 2210-2211).

Cabezas-Escares, J., Nicolás F. Barrera, Robert H. Lavroff, Anastassia N. Alexandrova, C. Cardenas, and F. Munoz. “Electronic Structure and Vibrational Stability of Copper-Substituted Lead Apatite LK-99.” Physical Review B 109, no. 14 (April 12, 2024): 144515. https://doi.org/10.1103/PhysRevB.109.144515

“RHL performed calculations on UCLA’s IDRE Hoffman2 cluster” (Cabezas-Escares et al., 2024, p. 7).

Campbell, Steven J., Chris La, Qingyang Zhou, Jason Le, Jennyfer Galvez-Reyes, Catherine Banach, K. N. Houk, Jie Rou Chen, and Suzanne E. Paulson. “Characterizing Hydroxyl Radical Formation from the Light-Driven Fe(II)–Peracetic Acid Reaction, a Key Process for Aerosol-Cloud Chemistry.” Environmental Science & Technology 58, no. 17 (April 30, 2024): 7505–15. https://doi.org/10.1021/acs.est.3c10684

“Calculations were performed on the IDRE (Institute of Digital Research and Education) Hoffman2 Cluster at the University of California, Los Angeles. This work also used Expanse at SDSC through allocation CHE040014 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program, which is supported by National Science Foundation grants #2138259, #2138286, #2138307, #2137603, and #2138296.” (Campbell et al., 2024, p. I).

Cantarella, Simona, Marco Vezzoli, Davide Carnevali, Marco Morselli, Nathan R. Zemke, Barbara Montanini, Coralie F. Daussy, et al. “Adenovirus Small E1A Directs Activation of Alu Transcription at YAP/TEAD- and AP-1-Bound Enhancers through Interactions with the EP400 Chromatin Remodeler.” Nucleic Acids Research 52, no. 16 (September 9, 2024): 9481–9500. https://doi.org/10.1093/nar/gkae615

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Cantarella et al., 2024, p. 9496).

Capel, Samantha L R, Natalie M Hamilton, Devaughn Fraser, Merly Escalona, Oanh Nguyen, Samuel Sacco, Ruta Sahasrabudhe, et al. “Reference Genome of Townsend’s Big-Eared Bat, Corynorhinus Townsendii.” Journal of Heredity 115, no. 2 (March 1, 2024): 203–11. https://doi.org/10.1093/jhered/esad078

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Capel et al., 2023, p. 8).

Cheng, Dongfang, Anastassia N. Alexandrova, and Philippe Sautet. “H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte.” The Journal of Physical Chemistry Letters 15, no. 4 (February 1, 2024): 1056–61. https://doi.org/10.1021/acs.jpclett.3c03202

“Computational resources for this work were provided by the UCLA-shared cluster Hoffman2, the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program at the Argonne Leadership Computing Facility, which is a U.S. Department of Energy (DOE) Office of Science User Facility supported under Contract DE-AC02-06CH11357, and the Expanse cluster through the allocation CHE170060 at the San Diego Supercomputing Center through ACCESS.” (Cheng et al., 2024, p. 1060).

Choudhary, Krishna, Sven Berberich, Thomas T. G. Hahn, James M. McFarland, and Mayank R. Mehta. “Spontaneous Persistent Activity and Inactivity in Vivo Reveals Differential Cortico-Entorhinal Functional Connectivity.” Nature Communications 15, no. 1 (May 8, 2024): 3542. https://doi.org/10.1038/s41467-024-47617-6

“All simulations were performed using MATLAB on the UCLA Hoffman2 Computing Cluster with time-step 0.2 ms using the Runge-Kutta method.” (Choudhary et al., 2024, p. 11)

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Choudhary et al., 2024, p. 14)

Culver, Adrian B., Pratik Sathe, and Rahul Roy. “Scattering Expansion for Localization in One Dimension.” Physical Review B 109, no. 6 (February 5, 2024): L060201. https://doi.org/10.1103/PhysRevB.109.L060201

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Culver et al., 2024, p. 5).

Curti, Joseph N, Devaughn Fraser, Merly Escalona, Colin W Fairbairn, Samuel Sacco, Ruta Sahasrabudhe, Oanh Nguyen, et al. “A Genome Assembly of the Yuma Myotis Bat, Myotis Yumanensis.” Journal of Heredity 115, no. 1 (January 1, 2024): 139–48. https://doi.org/10.1093/jhered/esad053

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Curti et al., 2023, p. 8).

Dahal, Laxman, Henry Burton, Zhengxiang Yi, and Zizhao He. “Auto-WoodSDA: A Scalable End-to-End Automation Framework to Perform Probabilistic Seismic Risk and Recovery Assessment of New Residential Woodframe Buildings.” Journal of Building Engineering 96 (November 1, 2024): 110545. https://doi.org/10.1016/j.jobe.2024.110545

“IDRE maintains Hoffman2, an HPC cluster at the University of California Los Angeles.” (Dahal et al., 2024, p. 19).

David, Maya, Thomas Leirikh, Omri Shelef, Sara Gutkin, Tal Kopp, Qingyang Zhou, Pengchen Ma, Micha Fridman, Kendall N. Houk, and Doron Shabat. “Chemiexcitation Acceleration of 1,2-Dioxetanes by Spiro-Fused Six-Member Rings with Electron-Withdrawing Motifs.” Angewandte Chemie International Edition 63, no. 46 (November 11, 2024): e202410057. https://doi.org/10.1002/anie.202410057

“D.S. thanks the Israel Science Foundation (ISF) for financial support. K.N.H. thanks the US National Science Foundation for financial support (CHE-2153972) and the UCLA Institute for Digital Research for access to the Hoffman2 shared cluster. K.N.H., P.M., and Q.Z. thank the SDSC Expanse calculation resource. O.S. acknowledges support from the Adams Fellowship Program of the Israel Academy of Science and Humanities. P.M. is thankful to the National Natural Science Foundation of China (No. 22103060).” (David et al., 2024, p. 9).

De Abreu, Maxime, Torben Rogge, Matteo Lanzi, Tomas J. Saiegh, Kendall N. Houk, and Joanna Wencel-Delord. “Cyclic Diaryl Λ3-Bromanes as a Precursor for Regiodivergent Alkynylation Reactions.” Angewandte Chemie 136, no. 16 (April 15, 2024): e202319960. https://doi.org/10.1002/ange.202319960

“Calculations were performed on the Hoffman2 cluster at the University of California, Los Angeles.” (De Abreu et al., 2024, p. 6).

Dobynde, Mikhail, and Jingnan Guo. “Guidelines for Radiation-Safe Human Activities on the Moon.” Nature Astronomy 8, no. 8 (August 2024): 991–99. https://doi.org/10.1038/s41550-024-02287-8

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the Institute for Digital Research and Education’s Research Technology Group at the University of California, Los Angeles.” (Dobynde and Guo, 2024, p. 999).

Doud, Evan A., James A. R. Tilden, Joseph W. Treacy, Elaine Y. Chao, Hayden R. Montgomery, Grace E. Kunkel, Eileen J. Olivares, et al. “Ultrafast Au(III)-Mediated Arylation of Cysteine.” Journal of the American Chemical Society 146, no. 18 (May 8, 2024): 12365–74. https://doi.org/10.1021/jacs.3c12170

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Doud et al., 2024, p. 12372).

Dragulet, Francis, and Lars Stixrude. “Partitioning of Iron Between (Mg,Fe)SiO3 Liquid and Bridgmanite.” Geophysical Research Letters 51, no. 12 (June 28, 2024): e2023GL107979. https://doi.org/10.1029/2023GL107979

“This project is supported by the National Science Foundation under Grant EAR2223935 to L.S. Calculations were carried out using the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Dragulet and Stixrude, 2024, p. 7).

Drozdov, A. Y., H. J. Allison, A. A. Saikin, Q. Schiller, and D. Wang. “Distribution of Seed Electron Phase Space Density Minima in Earth’s Radiation Belts.” Geophysical Research Letters 51, no. 7 (April 16, 2024): e2023GL108028. https://doi.org/10.1029/2023GL108028

“This work used computational, andstorage services associated with theHoffman2 Shared Cluster provided bytheUCLA Institute for Digital Research andEducation’s Research Technology Group.” (Drozdov et al., 2024, p. 7).

Duan, Meng, Qianzhen Shao, Qingyang Zhou, Phil S. Baran, and K. N. Houk. “Why •CF2H Is Nucleophilic but •CF3 Is Electrophilic in Reactions with Heterocycles.” Nature Communications 15, no. 1 (May 31, 2024): 4630. https://doi.org/10.1038/s41467-024-48949-z

“Calculations were performed on the Hoffman2 cluster at UCLA, and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation (OCI-1053575 to K.N.H.).” (Duan et al., 2024, p. 8).

Dutta, Subhabrata, Yi-Lin Lu, Johannes E. Erchinger, Huiling Shao, Emanuel Studer, Felix Schäfer, Huamin Wang, et al. “Double Strain-Release [2π+2σ]-Photocycloaddition.” Journal of the American Chemical Society 146, no. 8 (February 28, 2024): 5232–41. https://doi.org/10.1021/jacs.3c11563

“DFT calculations were performed on the IDRE Hoffman2 cluster at the University of California, Los Angeles, and the Extreme Science and Engineering Discovery Environment (XSEDE)” (Dutta et al., 2024, p. H).

Feng, Shijia, Xiaojun Wang, Dongfang Cheng, Yao Luo, Mengxin Shen, Jingyang Wang, Wei Zhao, et al. “Stabilizing *CO2 Intermediates at the Acidic Interface Using Molecularly Dispersed Cobalt Phthalocyanine as Catalysts for CO2 Reduction.” Angewandte Chemie 136, no. 8 (February 19, 2024): e202317942. https://doi.org/10.1002/ange.202317942

“Prof. Jia Zhu acknowledges the support from the XPLORER PRIZE. D. C. and P.S. acknowledged the National Science Foundation CBET Grant 2103116, the Audi CO2 Cy Pres Award, and Computational resources from the Hoffman2 cluster at UCLA Institute for Digital Research and Education (IDRE).” (Feng et al., p. 8).

Finnerty, Luke, Jerry W. Xuan, Yinzi Xin, Joshua Liberman, Tobias Schofield, Michael P. Fitzgerald, Shubh Agrawal, et al. “Atmospheric Metallicity and C/O of HD 189733 b from High-Resolution Spectroscopy.” The Astronomical Journal 167, no. 1 (January 2024): 43. https://doi.org/10.3847/1538-3881/ad1180

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Educations Research Technology Group.” (Finnerty et al., 2024, p. 10).

Fu, Hongxiang, Harry Pickering, Liudmilla Rubbi, Ted M. Ross, Elaine F. Reed, and Matteo Pellegrini. “Longitudinal Analysis of Influenza Vaccination Implicates Regulation of RIG-I Signaling by DNA Methylation.” Scientific Reports 14, no. 1 (January 17, 2024): 1455. https://doi.org/10.1038/s41598-024-51665-9

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Fu et al., 2024, p. 11).

Fu, Xiaoyang, Dongfang Cheng, Ao Zhang, Jingxuan Zhou, Sibo Wang, Xun Zhao, Jun Chen, Philippe Sautet, Yu Huang, and Xiangfeng Duan. “Ag–Ru Interface for Highly Efficient Hydrazine Assisted Water Electrolysis.” Energy & Environmental Science 17, no. 6 (March 19, 2024): 2279–86. https://doi.org/10.1039/D3EE02981F

“D. C. used the HOFFMAN2 cluster at the UCLA Institute for Digital Research Education (IDRE).” (Fu et al., 2024, p. 7-8).

Fu, Zihuan, Joseph W. Treacy, Brock M. Hosier, K. N. Houk, and Heather D. Maynard. “Controlling Rates and Reversibilities of Elimination Reactions of Hydroxybenzylammoniums by Tuning Dearomatization Energies.” Chemical Science 15, no. 27 (June 21, 2024): 10448–54. https://doi.org/10.1039/D4SC02985B

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Fu et al., 2024, p. 10453)

Gardner, Anna, Eric Baxter, Srinivasan Raghunathan, Weiguang Cui, and Daniel Ceverino. “Prospects for Studying the Mass and Gas in Protoclusters with Future CMB Observations.” The Open Journal of Astrophysics 7 (January 17, 2024). https://doi.org/10.21105/astro.2307.15309

“This work also used the computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Gardner et al., 2024, p. 12).

Gautam, Abhimat K., Tuan Do, Andrea M. Ghez, Devin S. Chu, Matthew W. Hosek, Shoko Sakai, Smadar Naoz, et al. “An Estimate of the Binary Star Fraction among Young Stars at the Galactic Center: Possible Evidence of a Radial Dependence.” The Astrophysical Journal 964, no. 2 (April 1, 2024): 164. https://doi.org/10.3847/1538-4357/ad26e6

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group.” (Gautam et al., 2024, p. 27).

Gilman, Daniel, Simon Birrer, Anna Nierenberg, and Maverick S H Oh. “Turbocharging Constraints on Dark Matter Substructure through a Synthesis of Strong Lensing Flux Ratios and Extended Lensed Arcs.” Monthly Notices of the Royal Astronomical Society 533, no. 2 (September 11, 2024): 1687–1713. https://doi.org/10.1093/mnras/stae1810

“Computations performed for this analysis were performed on the Midway2 and Midway3 clusters hosted by the University of Chicago’s Research Computing Center, the Niagara supercomputer at the SciNet HPC Consortium, and the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Gilman et al., 2024, p. 1709).

Goldstein, David. “Divergence-Time Estimation in Indo-European: The Case of Latin.” Diachronica 41, no. 1 (April 16, 2024): 1–45. https://doi.org/10.1075/dia.22031.gol

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Goldstein, 2024, p. 42).

Guan, Yani. “Modeling the Electrocatalytic Interface in the Conditions of Electrochemical Amination of Acetone with Methylamine as Nitrogen Source.” M.S., University of California, Los Angeles, 2024. https://www.proquest.com/docview/2973883051/abstract/10E9CFD4B1F04E07PQ/1

“I acknowledge UCLA for providing the necessary resources and facilities for conducting this research, specifically the UCLA Institute for Digital Research and Education (IDRE) and the computational resources on the Hoffman2 cluster.” (Guan, 2024, pp. xi).

Guan, Yani, Justus Kümper, Sonja D. Mürtz, Simran Kumari, Peter J. C. Hausoul, Regina Palkovits, and Philippe Sautet. “Origin of Copper Dissolution under Electrocatalytic Reduction Conditions Involving Amines.” Chemical Science 15, no. 35 (September 21, 2024): 14485–96. https://doi.org/10.1039/D4SC01944J

“Computational resources for this work were provided by the UCLA-shared cluster Hoffman2 and the Expanse cluster through the allocation CHE170060 at the San Diego Supercomputing Center through ACCESS.” (Guan et al., 2024, p. 14495).

Guo, Yuxuan, Yang Luo, Roshan Plamthottam, Siyou Pei, Chen Wei, Ziqing Han, Jiacheng Fan, et al. “Haptic Artificial Muscle Skin for Extended Reality.” Science Advances 10, no. 43 (October 25, 2024): eadr1765. https://doi.org/10.1126/sciadv.adr1765

“This work used computational and storage services associated with the hoffman2 Shared cluster provided by institute for digital Research and education’s Research technology Group at the University of california, los Angeles.” (Guo et al., 2024, p. 11).

Gutkin, Sara, Omri Shelef, Zuzana Babjaková, Laura Anna Tomanová, Matej Babjak, Tal Kopp, Qingyang Zhou, et al. “Boosting Chemiexcitation of Phenoxy-1,2-Dioxetanes through 7-Norbornyl and Homocubanyl Spirofusion.” JACS Au 4, no. 9 (September 23, 2024): 3558–66. https://doi.org/10.1021/jacsau.4c00493

“K.N.H. thanks the US National Science Foundation for financial support (CHE-2153972) and the UCLA Institute for Digital Research for access to the Hoffman2 shared cluster.” (Gutkin et al., 2024, p. 3565).

He, Sicong, Brian D. Wirth, Lance Snead, Jason R. Trelewicz, Yutai Katoh, Steve J. Zinkle, and Jaime Marian. “Simulations of Radiation Damage Accumulation in Fe-9Cr under Pulsed Irradiation Conditions Representative of Inertial Fusion Energy.” Journal of Nuclear Materials 601 (December 1, 2024): 155325. https://doi.org/10.1016/j.jnucmat.2024.155325

“All numerical simulations were performed on the Hoffman2 computer cluster at UCLA’s Institute for Digital Research and Education.” (He et al., 2024, p. 11).

Hoel, Paige, Allison R. Moreno, and Daniele Bianchi. “Mechanisms Controlling Lower Trophic Ecosystem Response to Ocean Outfall Discharges: Role of Nitrogen Form and Freshwater Volume.” Regional Studies in Marine Science 78 (December 15, 2024): 103739. https://doi.org/10.1016/j.rsma.2024.103739

“Additional computational resources were provided by the Hoffman2 computer cluster at the University of California Los Angeles, Institute for Digital Research and Education (IDRE).” (Hoel et al., 2024, p. 10).

Insixiengmay, Leslie. “Chemical Reactions at the Earth’s Core-Mantle Boundary.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3064054148/abstract/125C578BB2004A82PQ/1

“Most of this work was carried out locally on an 8-core MacBook Pro or through High Performance Computing (HPC) such as the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Insixiengmay, 2024, p. 56).

Ippoliti, Francesca M., Laura G. Wonilowicz, Nathan J. Adamson, Evan R. Darzi, Joyann S. Donaldson, Daniel J. Nasrallah, Milauni M. Mehta, Andrew V. Kelleghan, K. N. Houk, and Neil K. Garg. “Total Synthesis of Lissodendoric Acid A.” Angewandte Chemie International Edition 63, no. 32 (August 5, 2024): e202406676. https://doi.org/10.1002/anie.202406676

“Calculations were performed ontheHoffman2 cluster and theUCLA Institute ofDigital Research andEducation (IDRE) atUCLA andtheExtreme Science and Engineering Discovery Environment (XSEDE), which issupported bytheNational Science Foundation (OCI1053575).” (Ippoliti et al., 2024, p. 11).

Jung, Su Yon, Herbert Yu, Xianglong Tan, and Matteo Pellegrini. “Novel DNA Methylation-Based Epigenetic Signatures in Colorectal Cancer from Peripheral Blood Leukocytes.” American Journal of Cancer Research 14, no. 5 (May 2024): 2253–71. https://doi.org/10.62347/MXWJ1398

“All statistical analyses were performed with R through UCLA’s Hoffman2 high-performance computing cluster.” (Jung et al., 2024, p. 2257).

Kelleghan, Andrew V., Arismel Tena Meza, and Neil K. Garg. “Generation and Reactivity of Unsymmetrical Strained Heterocyclic Allenes.” Nature Synthesis 3 (March 2024): 329–36. https://doi.org/10.1038/s44160-023-00432-1

“Calculations were performed on the Hoffman2 cluster and the University of California, Los Angeles (UCLA) Institute of Digital Research and Education and the Extreme Science and Engineering Discovery Environment, which is supported by the NSF (OCI-1053575). We thank K. N. Houk (UCLA) for computational resources and helpful discussions and S. Khan (UCLA) for X-ray analysis.” (Kelleghan et al., 2023).

Kessouri, Fayçal, Martha A. Sutula, Daniele Bianchi, Minna Ho, Pierre Damien, James C. McWilliams, Christina A. Frieder, et al. “Cross-Shore Transport and Eddies Promote Large Scale Response to Urban Eutrophication.” Scientific Reports 14, no. 1 (March 27, 2024): 7240. https://doi.org/10.1038/s41598-024-57626-6

“Additional computational resources were provided by the Hoffman2 computer cluster at the University of California, Los Angeles, Institute for Digital Research and Education (IDRE).” (Kessouri et al., 2024, p. 17).

Kowalski, Robert Michael. “Comparing the Reactivity of Capture Agents and Proton Source for Captured Carbon Dioxide Reduction Reaction. A Theoretical Assessment.” UCLA, 2024. https://escholarship.org/uc/item/65z8v7j8

“Computational calculations were run on the UCLA Institute for Digital Research and Education’s Research Technology Group’s cluster Hoffman2 and Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support’s (ACCESS) clusters Expanse and Bridges2 through the allocation CHE170060 at the San Diego Supercomputing Center through ACCESS.” (Kowalski, 2024, pp. xi).

Kowalski, Robert Michael, Avishek Banerjee, Chudi Yue, Sara G. Gracia, Dongfang Cheng, Carlos G. Morales-Guio, and Philippe Sautet. “Electroreduction of Captured CO2 on Silver Catalysts: Influence of the Capture Agent and Proton Source.” Journal of the American Chemical Society 146, no. 30 (July 31, 2024): 20728–41. https://doi.org/10.1021/jacs.4c03915

“Computational calculations were run on the UCLA Institute for Digital Research and Education’s Research Technology Group’s cluster Hoffman2 and Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support’s (ACCESS) clusters Expanse and Bridges2 through the allocation CHE170060 at the San Diego Supercomputing Center through ACCESS.” (Kowalski et al., 2024, p. 20740).

Kunkel, Grace E., Joseph W. Treacy, Magdalena F. Polite, Hayden R. Montgomery, Evan A. Doud, Kendall N. Houk, Alexander M. Spokoyny, and Heather D. Maynard. “Heterotelechelic Organometallic PEG Reagents Enable Modular Access to Complex Bioconjugates.” ACS Macro Letters 13, no. 11 (October 31, 2024): 1551–57. https://doi.org/10.1021/acsmacrolett.4c00588

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Kunkel et al., 2024, p. 1556).

Lee, Woojin, Tyler R. Benton, Arkajyoti Sengupta, and K. N. Houk. “Molecular Dynamics of the Norbornyl Cation in Solution and Its Generation in Winstein–Trifan Solvolysis: The Timing of Sigma Bridging.” The Journal of Organic Chemistry 89, no. 2 (January 19, 2024): 1140–46. https://doi.org/10.1021/acs.joc.3c02325

“All calculations were performed on computational resources provided by the UCLA Institute of Digital Research and Education and the NSF Extreme Science and Engineering Discovery Environment.” (Lee et al., 2024, p. 1144).

Levandowski, Brian J., Brian J. Graham, K. N. Houk, and Ronald T. Raines. “Click Organocatalysis: Acceleration of Azide–Alkyne Cycloadditions with Mutually Orthogonal Click Reactions.” The Journal of Organic Chemistry 89, no. 4 (February 16, 2024): 2232–37. https://doi.org/10.1021/acs.joc.3c02182

“This work used computational and storage services associated with theHoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group.” (Levandowski et al., 2024, p. 2236).

Lewis, Briley Lynn. “Applications of High-Contrast Imaging Techniques and Polarimetry to (Exo-)Planetary Science.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3106217273/abstract/C011740401D64FADPQ/1

“Lastly, this research made use of computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Lewis, 2024, p. xxvi).

Liepuoniute, Ieva, Jing-Ran Shan, K. N. Houk, and Miguel A. Garcia-Garibay. “Computational Study of Ground-State Destabilization Effects and Dipole–Dipole Interaction Energies in Amphidynamic Crystals.” The Journal of Organic Chemistry 89, no. 1 (January 5, 2024): 9–15. https://doi.org/10.1021/acs.joc.3c00465

“Computations were performed ontheHoffman2 cluster at UCLA” (Liepuoniute et al., 2023, p. 6).

Lubinski, Thomas, Carleton Coffrin, Catherine McGeoch, Pratik Sathe, Joshua Apanavicius, David Bernal Neira, and Quantum Economic Development Consortium(QED-C) Collaboration. “Optimization Applications as Quantum Performance Benchmarks.” ACM Transactions on Quantum Computing 5, no. 3 (August 14, 2024): 18:1-18:44. https://doi.org/10.1145/3678184

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute of Digital Research and Education’s Research Technology Group.” (Lubinski et al., 2024, p. 1).

Ma, Pengchen, Dennis Svatunek, Zixi Zhu, Dale L. Boger, Xin-Hua Duan, and K. N. Houk. “Computational Studies of Reactions of 1,2,4,5-Tetrazines with Enamines in MeOH and HFIP.” Journal of the American Chemical Society 146, no. 27 (July 10, 2024): 18706–13. https://doi.org/10.1021/jacs.4c06067

“K.N.H. and P.M. are thankful for computation resources from Hoffman2 cluster at UCLA and Expanse at SDSC through allocation CHE040014 from the Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program.” (Ma et al., 2024, p. 18711).

Mao, Runze, Doris Mia Taylor, Daniel J. Wackelin, Torben Rogge, Sophia J. Wu, Kathleen M. Sicinski, K. N. Houk, and Frances H. Arnold. “Biocatalytic, Stereoconvergent Alkylation of (Z/E)-Trisubstituted Silyl Enol Ethers.” Nature Synthesis 3, no. 2 (February 2024): 256–64. https://doi.org/10.1038/s44160-023-00431-2

“Calculations were performed on the Hoffman2 cluster at the University of California, Los Angeles.” (Mao et al., 2023).

McDermott, Luca, Zach G. Walters, Sarah A. French, Allison M. Clark, Jiaming Ding, Andrew V. Kelleghan, K. N. Houk, and Neil K. Garg. “A Solution to the Anti-Bredt Olefin Synthesis Problem.” Science 386, no. 6721 (November 2024): eadq3519. https://doi.org/10.1126/science.adq3519

“Calculations were performed on the UCLA Hoffman2 cluster and at the UCLA Institute of Digital Research and Education (IDRE).” (McDermott et al., 2024, p. 9).

McGreevy, Kristen. “DNA Methylation Based Biomarkers, Imputation, and Prediction Algorithms.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3061584085/abstract/E5053F4B4D7443E5PQ/1

“All computation was performed using R version 4.1.0 and the Hoffman2 Cluster, which is a Linux compute cluster.” (McGreevy, 2024, p. 43).

Mei, Kenneth J., William R. Borrelli, José L. Guardado Sandoval, and Benjamin J. Schwartz. “How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride.” The Journal of Physical Chemistry Letters 15, no. 38 (September 26, 2024): 9557–65. https://doi.org/10.1021/acs.jpclett.4c02404

“We gratefully acknowledge the Institute for Digital Research and Education (IDRE) at UCLA for use of the Hoffman2 computing cluster and ACCESS under computational project TG-CHE230086.” (Mei et al., 2024, p. 9563).

Mei, Kenneth J., William R. Borrelli, Andy Vong, and Benjamin J. Schwartz. “Using Machine Learning to Understand the Causes of Quantum Decoherence in Solution-Phase Bond-Breaking Reactions.” The Journal of Physical Chemistry Letters 15, no. 4 (February 1, 2024): 903–11. https://doi.org/10.1021/acs.jpclett.3c03474

“We gratefully acknowledge the Institute for Digital Research and Education (IDRE) at UCLA for use of the Hoffman2 computing cluster.” (Mei et al., 2024, p. 909).

Mei, Kenneth J., and Benjamin J. Schwartz. “How Solvation Alters the Thermodynamics of Asymmetric Bond-Breaking: Quantum Simulation of NaK+ in Liquid Tetrahydrofuran.” The Journal of Physical Chemistry Letters 15, no. 32 (August 15, 2024): 8187–95. https://doi.org/10.1021/acs.jpclett.4c01636

“We gratefully acknowledge the Institute for Digital Research and Education (IDRE) at UCLA for use of the Hoffman2 computing cluster.” (Mei and Schwartz, 2024, p. 8193).

Miao, Yu, Tianxiang Zhou, Xiaoru Zheng, and Shaily Mahendra. “Investigating Biodegradation of 1,4-Dioxane by Groundwater and Soil Microbiomes: Insights into Microbial Ecology and Process Prediction.” ACS ES&T Water 4, no. 3 (March 8, 2024): 1046–60. https://doi.org/10.1021/acsestwater.3c00185

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Miao et al., 2024, p. L).

Ming Yu, Husan, Shivam Sharma, Shivang Agarwal, Olivia Liebman, and Amartya S. Banerjee. “Carbon Kagome Nanotubes—Quasi-One-Dimensional Nanostructures with Flat Bands.” RSC Advances 14, no. 2 (January 2024): 963–81. https://doi.org/10.1039/D3RA06988E

“The authors would like to thank UCLA’s Institute for Digital Research and Education (IDRE) and the Minnesota Supercomputing Institute (MSI) for making available some of the computing resources used in this work.” (Ming Yu et al., 2024, p. 977).

Morgan, H. W. T., W. T. Laderer, and A. N. Alexandrova. “δ-Bonding and Spin-Orbit Coupling Make SrAg4Sb2 a Topological Insulator.” Chemistry – A European Journal 30, no. 17 (March 20, 2024): e202303679. https://doi.org/10.1002/chem.202303679

“This work was supported by the Brown Science Foundation Award 1168 to A.N.A. and computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group.” (Morgan et al., 2024, p. 5).

Ngan, Hio Tong. “Dilute Alloy Catalysts: Unraveling Enhanced Selectivity and Reactivity in (De)Hydrogenation Reactions Through Theoretical Exploration.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3040201680/abstract/8DB8CE38017E4329PQ/1

“The DFT calculations in this work used computational and storage services associated with the Hoffman2 cluster at the UCLA Institute for Digital Research and Education (IDRE), the National Energy Research Scientific Computing Center (NERSC) of the U.S. Department of Energy, and the Bridges-2 cluster through the allocation TG-CHE170060 at the Pittsburgh Supercomputing Center (supported by National Science Foundation award number ACI-1928147) through the Extreme Science and Engineering Discovery Environment (supported by National Science Foundation grant number ACI-1548562).” (Ngan, 2024, p. xxxiv).

Ngan, Hio Tong, and Philippe Sautet. “Tuning the Hydrogenation Selectivity of an Unsaturated Aldehyde via Single-Atom Alloy Catalysts.” Journal of the American Chemical Society 146, no. 4 (January 31, 2024): 2556–67. https://doi.org/10.1021/jacs.3c10994

“DFT calculations reported in this work used computational and storage resources on the Hoffman2 cluster at the UCLA Institute for Digital Research and Education (IDRE), the National Energy Research Scientific Computing Center (NERSC) of the U.S.Department of Energy, and the Bridges-2 cluster through the allocation CHE170060 at the Pittsburgh Supercomputing Center through ACCESS.” (Ngan and Sautet, 2024, p. K).

Niknam, Mohamad, and Louis-S. Bouchard. “Nuclear Induction Line Shape: Non-Markovian Diffusion with Boundaries.” The Journal of Chemical Physics 160, no. 2 (January 9, 2024): 024305. https://doi.org/10.1063/5.0179178

“The computational and storage services used in this work are part of the Hoffman2 Shared Cluster, provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Niknam and Bouchard, 2024, p. 9).

Ou, Feiyang, Fahim Abdullah, Henrik Wang, Matthew Tom, Gerassimos Orkoulas, and Panagiotis D. Christofides. “Sparse Identification Modeling and Predictive Control of Wafer Temperature in an Atomic Layer Etching Reactor.” Chemical Engineering Research and Design 202 (February 1, 2024): 1–11. https://doi.org/10.1016/j.cherd.2023.12.024

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Ou et al., 2024, p. 11).

Pathrudkar, Shashank, Ponkrshnan Thiagarajan, Shivang Agarwal, Amartya S. Banerjee, and Susanta Ghosh. “Electronic Structure Prediction of Multi-Million Atom Systems through Uncertainty Quantification Enabled Transfer Learning.” Npj Computational Materials 10, no. 1 (August 12, 2024): 1–15. https://doi.org/10.1038/s41524-024-01305-7

“Raw data were generated at Hoffman2 High-Performance Compute Cluster at UCLA’s Institute for Digital Research and Education (IDRE) and National Energy Research Scientific Computing Center (NERSC).” (Pathrudkar et al., 2024, p. 12).

Psaras, Catherine, Annette Regan, Roch Nianogo, Onyebuchi A Arah, and Marissa J Seamans. “The Impact of Maternal Pertussis Vaccination Recommendation on Infant Pertussis Incidence and Mortality in the USA: An Interrupted Time Series Analysis.” International Journal of Epidemiology 53, no. 1 (February 1, 2024): dyad161. https://doi.org/10.1093/ije/dyad161

“UCLA Institute for Digital Research and Education’s Research Technology Group provided computational and storage services associated with the Hoffman2 Shared Cluster.” (Psaras et al., 2023, p. 7).

Rogge, Torben, Qingyang Zhou, Nicholas J. Porter, Frances H. Arnold, and K. N. Houk. “Iron Heme Enzyme-Catalyzed Cyclopropanations with Diazirines as Carbene Precursors: Computational Explorations of Diazirine Activation and Cyclopropanation Mechanism.” Journal of the American Chemical Society 146, no. 5 (January 25, 2024): 2959–66. https://doi.org/10.1021/jacs.3c06030

“Calculations were performed on the Hoffman2 cluster at the University of California, Los Angeles, and Expanse at the San Diego Supercomputer Center(SDSC).” (Rogge et al., 2024, p. G).

Sedillo, Kassandra, Flora Fan, Robert R. Knowles, and Abigail G. Doyle. “Cooperative Phosphine-Photoredox Catalysis Enables N–H Activation of Azoles for Intermolecular Olefin Hydroamination.” Journal of the American Chemical Society 146, no. 29 (July 24, 2024): 20349–56. https://doi.org/10.1021/jacs.4c05881

“Financial support for this work was provided by the NIGMS (R35GM126986 to AGD and R35-GM134893 to RRK). These studies were also supported by shared instrumentation grants from the National Science Foundation (CHE-1048804), NIH Office of Research Infrastructure Programs (S10OD028644), and used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Sedillo et al., 2024, p. 20355).

Sedlak, Alexander Paul Woodward. “Field Shift Fractionations in Novel Isotope Systems.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3064085358/abstract/FDF1F8C87FAC4CE5PQ/1

“All molecular geometry optimizations are performed with the Gaussian09 software package (Frisch et al., 2009) on the UCLA Hoffman2 computing cluster.” (Sedlak, 2024, p. 33)

“Geometry optimization and vibrational analyses for molecules and molecular complexes are performed using the software Gaussian09 (Frisch et al. 2009), on the Hoffman2 cluster at UCLA.” (Sedlak, 2024, p. 93)

“Calculations were performed in the software Gaussian09 (Frisch, 2009) on the Hoffman2 cluster at UCLA.” (Sedlak, 2024, p. 150)

Shaked, Gideon, Jingyuan Fu, and Jason Ernst. “Identifying Functional Genomic Regions in iPSC Reprogramming with ChromHMM.” July 2024 B.I.G. Summer 2024 Poster Presentation. Shen, Mengxin, Liyao Ji, Dongfang Cheng, Ziwei Wang, Qinwen Xue, Shijia Feng, Yao Luo, et al. “Hierarchical Design Enables Sufficient Activated CO2 for Efficient Electrolysis of Bicarbonate to CO.” Joule 8, no. 7 (July 17, 2024): 1999–2015. https://doi.org/10.1016/j.joule.2024.04.006

“The authors acknowledge the micro-fabrication center of the National Laboratory of Solid State Microstructures (NLSSM) for technical support. This study has been supported by the New Cornerstone Science Foundation through the XPLORER PRIZE. D.C. and P.S. acknowledged the National Science Foundation CBET grant 2103116, the Audi CO2 Cy Pres Award, and computational resources from the Hoffman2 cluster at UCLA Institute for Digital Research and Education (IDRE).” (Shen et al., 2024, p. 2014).

Si, Yidongfang, Andrew L. Stewart, Alessandro Silvano, and Alberto C. Naveira Garabato. “Antarctic Slope Undercurrent and Onshore Heat Transport Driven by Ice Shelf Melting.” Science Advances 10, no. 16 (April 17, 2024): eadl0601. https://doi.org/10.1126/sciadv.adl0601

“This work used the hoffman2 cluster, which is supported by the IDRE Research technology Group at UCLA. This work also used the Extreme Science and engineering discovery environment (XSede) (61), which is supported by the national Science Foundation grant number Aci-1548562.” (Si et al., 2024, p. 14).

Raghunathan, S., P. A. R. Ade, A. J. Anderson, B. Ansarinejad, M. Archipley, J. E. Austermann, et al. (SPT-3G and SPTpol Collaboration) “First Constraints on the Epoch of Reionization Using the Non-Gaussianity of the Kinematic Sunyaev-Zel’dovich Effect from the South Pole Telescope and Herschel-SPIRE Observations.” Physical Review Letters 133, no. 12 (September 19, 2024): 121004. https://doi.org/10.1103/PhysRevLett.133.121004

“This work made use of the following computing resources: Illinois Campus Cluster, a computing resource that is operated by the Illinois Campus Cluster Program (ICCP) in conjunction with the National Center for Supercomputing Applications (NCSA) and which is supported by funds from the University of Illinois at Urbana-Champaign; the computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group; and the computing resources provided on Crossover, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. The South Pole Telescope program is supported by the National Science Foundation (NSF) through grant OPP-1852617.” (SPT-3G and SPTpol Collaboration et al., 2024, p. 6-7).

Svatunek, Dennis, Anton Murnauer, Zhuoting Tan, K. N. Houk, and Kathrin Lang. “How Cycloalkane Fusion Enhances the Cycloaddition Reactivity of Dibenzocyclooctynes.” Chemical Science 15, no. 6 (February 14, 2024): 2229–35. https://doi.org/10.1039/D3SC05789E

“Computational results presented were obtained using the Vienna Scientific Cluster (VSC) at TU Wien and the Hoffman2 cluster at UCLA.” (Svatunek et al., 2024, p. 2234).

Tang, Yu, George Yan, Shiran Zhang, Yuting Li, Luan Nguyen, Yasuhiro Iwasawa, Tomohiro Sakata, et al. “Turning on Low-Temperature Catalytic Conversion of Biomass Derivatives through Teaming Pd1 and Mo1 Single-Atom Sites.” Journal of the American Chemical Society 146, no. 47 (November 14, 2024): 32366–82. https://doi.org/10.1021/jacs.4c07075

“The calculations in this work used computational and storage services associated with the Hoffman2 shared computational cluster located at UCLA.” (Tang et al., 2024, p. O).

Tannous, Rozan, Omri Shelef, Sara Gutkin, Maya David, Thomas Leirikh, Liang Ge, Qais Jaber, et al. “Spirostrain-Accelerated Chemiexcitation of Dioxetanes Yields Unprecedented Detection Sensitivity in Chemiluminescence Bioassays.” ACS Central Science 10, no. 1 (January 24, 2024): 28–42. https://doi.org/10.1021/acscentsci.3c01141

“K.N.H. thanks the US National Science Foundation for financial support (CHE-2153972) andtheUCLA Institute for Digital Research for access to the Hoffman2 shared cluster.” (Tannous et al., 2024, p. 40).

Tesvara, Celine, Md Raian Yousuf, Malik Albrahim, Diego Troya, Abhijit Shrotri, Eli Stavitski, Ayman M. Karim, and Philippe Sautet. “Unraveling the CO Oxidation Mechanism over Highly Dispersed Pt Single Atom on Anatase TiO2 (101).” ACS Catalysis 14, no. 10 (May 17, 2024): 7562–75. https://doi.org/10.1021/acscatal.4c01018

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group and by the hardware at Virginia Tech’s Advanced Research Computing.” (Tesvara et al., 2024, p. 7573).

Tom, Matthew Cheuk-Woh. “First-Principles and Machine Learning Modeling for Design and Operation of Area-Selective Atomic Layer Deposition.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3050055747/abstract/994D87FB587448B4PQ/1

“I would like to extend my appreciation for the support of the UCLA Hoffman2 Cluster Support Team including Raffaella D’Auria, Shao-Ching Huang, John Pedersen, Brian Pape, and Charles Peterson, for their technical support.” (Tom, 2024, p. xix).

Tom, Matthew, Henrik Wang, Feiyang Ou, Gerassimos Orkoulas, and Panagiotis D. Christofides. “Machine Learning Modeling and Run-to-Run Control of an Area-Selective Atomic Layer Deposition Spatial Reactor.” Coatings 14, no. 1 (January 2024): 38. https://doi.org/10.3390/coatings14010038

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Tom et al., 2024, p. 16).

Travis, Christopher R., Ryan G. Dumais, Joseph W. Treacy, Kelsey M. Kean, K. N. Houk, and Marcey L. Waters. “Contribution of Electrostatic CH3–π Interactions to Recognition of Histone Asymmetric Dimethylarginine by the SPIN1 Triple Tudor Domain.” Journal of the American Chemical Society 146, no. 30 (July 31, 2024): 20678–84. https://doi.org/10.1021/jacs.4c03463

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Travis et al., 2024, p. 20683).

Travis, Christopher R., Hanne C. Henriksen, Jake R. Wilkinson, Noah K. Schomburg, Joseph W. Treacy, Kelsey M. Kean, K. N. Houk, and Marcey L. Waters. “WDR5 Binding to Histone Serotonylation Is Driven by an Edge–Face Aromatic Interaction with Unexpected Electrostatic Effects.” Journal of the American Chemical Society 146, no. 40 (October 9, 2024): 27451–59. https://doi.org/10.1021/jacs.4c07277

“This work used computational and storage services associated with the Hoff-man2 Shared Cluster provided by the UCLA Institute for Digital Research and Education’s Research Technology Group.” (Travis et al., 2024, p. 27457).

Travis, Christopher R., Kelsey M. Kean, Katherine I. Albanese, Hanne C. Henriksen, Joseph W. Treacy, Elaine Y. Chao, K. N. Houk, and Marcey L. Waters. “Trimethyllysine Reader Proteins Exhibit Widespread Charge-Agnostic Binding via Different Mechanisms to Cationic and Neutral Ligands.” Journal of the American Chemical Society 146, no. 5 (February 7, 2024): 3086–93. https://doi.org/10.1021/jacs.3c10031

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided bythe UCLA Institute for Digital Research and Education’s Research Technology Group.” (Travis et al., 2024, p. F).

Tyler, Jasper L., Felix Schäfer, Huiling Shao, Colin Stein, Audrey Wong, Constantin G. Daniliuc, K. N. Houk, and Frank Glorius. “Bicyclo[1.1.0]Butyl Radical Cations: Synthesis and Application to [2π + 2σ] Cycloaddition Reactions.” Journal of the American Chemical Society 146, no. 23 (June 12, 2024): 16237–47. https://doi.org/10.1021/jacs.4c04403

“DFT calculations were performed on the IDRE Hoffman2 cluster at the University of California, Los Angeles, and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by the National Science Foundation (OCI1053575).” (Tyler et al., 2024, p. 16246).

Wang, Henrik, Feiyang Ou, Julius Suherman, Matthew Tom, Gerassimos Orkoulas, and Panagiotis D. Christofides. “Data-Driven Machine Learning Predictor Model for Optimal Operation of a Thermal Atomic Layer Etching Reactor.” Industrial & Engineering Chemistry Research 63, no. 45 (November 13, 2024): 19693–706. https://doi.org/10.1021/acs.iecr.4c03150

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by the UCLA Office of Advanced Research Computing’s Research Technology Group.” (Wang et al., 2024, p. 19705).

Wang, Henrik, Matthew Tom, Feiyang Ou, Gerassimos Orkoulas, and Panagiotis D. Christofides. “Integrating Run-to-Run Control with Feedback Control for a Spatial Atomic Layer Etching Reactor.” Chemical Engineering Research and Design 203 (March 1, 2024): 1–10. https://doi.org/10.1016/j.cherd.2024.01.030

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group” (Wang et al., 2024, p. 7).

Wang, Henrik, Matthew Tom, Feiyang Ou, Gerassimos Orkoulas, and Panagiotis D. Christofides. “Multiscale Computational Fluid Dynamics Modeling of an Area-Selective Atomic Layer Deposition Process Using a Discrete Feed Method.” Digital Chemical Engineering 10 (March 1, 2024): 100140. https://doi.org/10.1016/j.dche.2024.100140

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Wang et al., 2024, p. 14).

Weldon, Grant C., Smadar Naoz, and Bradley M. S. Hansen. “Analytical Models for Secular Descents in Hierarchical Triple Systems.” The Astrophysical Journal 974, no. 2 (October 2024): 302. https://doi.org/10.3847/1538-4357/ad77a9

“The authors also acknowledge the use of the UCLA cluster Hoffman2 for computational resources.” (Weldon et al., 2024, p. 9).

Weng, Guorong, William Laderer, and Anastassia N. Alexandrova. “Understanding the Adiabatic Evolution of Surface States in Tetradymite Topological Insulators under Electrochemical Conditions.” The Journal of Physical Chemistry Letters 15, no. 10 (March 14, 2024): 2732–39. https://doi.org/10.1021/acs.jpclett.4c00064

“The computations utilized the following resources: (1) computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group” (Weng et al., 2024, p. 2737).

Williams, Chloe G., Sepand K. Nistanaki, Krista Dong, Woojin Lee, Kendall N. Houk, and Hosea M. Nelson. “Main Group-Catalyzed Cationic Claisen Rearrangements via Vinyl Carbocations.” Organic Letters 26, no. 23 (June 14, 2024): 4847–52. https://doi.org/10.1021/acs.orglett.4c00837

“Work by the Houk group used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Williams et al., 2024, p. 4851).

Williams, Claire E., William Lake, Smadar Naoz, Blakesley Burkhart, Tommaso Treu, Federico Marinacci, Yurina Nakazato, et al. “The Supersonic Project: Lighting Up the Faint End of the JWST UV Luminosity Function.” The Astrophysical Journal Letters 960, no. 2 (January 2024): L16. https://doi.org/10.3847/2041-8213/ad1491

“C.E.W., W.L., S.N., Y.S.C., B.B., F.M., and M.V. are thankful for the support of NASA grant No. 80NSSC20K0500 and the XSEDE/ACCESS AST180056 allocation, as well as the UCLA cluster Hoffman2 for computational resources.” (Williams et al., 2024, p. 7).

Wilson, Bianca D. M., and Lauren J. A. Bouton. “LGBTQ Parenting in the US.” UCLA: The Williams Institute, July 17, 2024. https://escholarship.org/uc/item/4n14x2dd

“Thank you to Raffaella D’Auria, Ph.D., who facilitated the use of the computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group.” (Wilson and Bouton, 2024, p. 36).

Wu, Huan, and Yongjie Hu. “Ab Initio Investigations on Hydrodynamic Phonon Transport: From Diffusion to Convection.” International Journal of Heat and Mass Transfer 220 (March 1, 2024): 124988. https://doi.org/10.1016/j.ijheatmasstransfer.2023.124988

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Office of Advanced Research Computing’s Research Technology Group” (Wu and Hu, 2024, p. 7).

Yan, Wenzhong, Talmage Jones, Christopher L. Jawetz, Ryan H. Lee, Jonathan B. Hopkins, and Ankur Mehta. “Self-Deployable Contracting-Cord Metamaterials with Tunable Mechanical Properties.” Materials Horizons 11, no. 16 (August 21, 2024): 3805–18. https://doi.org/10.1039/D4MH00584H

“We also acknowledge the use of computational and storage services from the Hoffman2 Shared Cluster, courtesy of the UCLA Office of Advanced Research Computing’s Research Technology Group.” (Yan et al., 2024, p. 3816).

Yu, Hsuan Ming. “Nanotubes from First Principle and Data-Driven Methods: Real and Reimagined.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/2973884572/abstract/8D85B31223F84EE9PQ/1

“All simulations involving Helical DFT were run using a dedicated desktop workstation (Dell Precision 7920 Tower) or single nodes of the Hoffman2 cluster at UCLA’s Institute for Digital Research and Education (IDRE).” (Yu, 2024, p. 36).

Yuan, Xintong, Dongfang Cheng, Bo Liu, Kaiyan Liang, Keyue Liang, Jiayi Yu, Matthew Mecklenburg, Philippe Sautet, and Yuzhang Li. “Engineering Battery Corrosion Films by Tuning Electrical Double Layer Composition.” Joule 0, no. 0 (August 14, 2024). https://doi.org/10.1016/j.joule.2024.07.011

“We thank Dr. Ankun Yang at Oakland University for his assistance with the Raman cell and experiment design. D.C. and P.S. acknowledge the National Science Foundation CBET grant 2103116, the Audi Cy Pres fund award, and computational resources from the Hoffman2 cluster at UCLA Institute for Digital Research and Education (IDRE) and the Expanse cluster through the allocation CHE170060 at the San Diego Supercomputing Center through ACCESS.” (Yuan et al., 2024, p. 14).

Zapata, Felipe, José Cerca, Dana McCarney, Claudia L Henriquez, Bashir B Tiamiyu, John E McCormack, Kelsey R Reckling, Jaime A Chaves, and Gonzalo Rivas-Torres. “Darwin’s Overlooked Radiation: Genomic Evidence Points to the Early Stages of a Radiation in the Galápagos Prickly Pear Cactus (Opuntia: Cactaceae).” Evolutionary Journal of the Linnean Society 3, no. 1 (January 1, 2024): kzae021. https://doi.org/10.1093/evolinnean/kzae021

“This work used computational and storage services associated with the Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group, and the Norwegian national infrastructure for high-performance computing and storage.” (Zapata et al., 2024, p. 10).

Zhang, Zisheng. “Grand Canonical Approach to Modeling Dynamic Catalysts: From Thermal to Electro-Catalysis, From Clusters to Surfaces.” Ph.D., University of California, Los Angeles, 2024. https://www.proquest.com/docview/3062239492/abstract/3310920F78354685PQ/1

“The computations in this work were performed on: Hoffman2, the UCLAshared cluster” (Zhang, 2024, p. xxxv).

Zhang, Zisheng, Winston Gee, Philippe Sautet, and Anastassia N. Alexandrova. “H and CO Co-Induced Roughening of Cu Surface in CO2 Electroreduction Conditions.” Journal of the American Chemical Society 146, no. 23 (June 12, 2024): 16119–27. https://doi.org/10.1021/jacs.4c03515

“Computational resources for this work were provided by UCLA shared cluster Hoffman2 and the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program at the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under contract DE-AC02-06CH11357.” (Zhang et al., 2024, p. 16126).

Zhao, Zhenqi, Stasik Popov, Woojin Lee, Jessica E. Burch, David A. Delgadillo, Lee Joon Kim, Mona Shahgholi, Naiara Lebrón-Acosta, K. N. Houk, and Hosea M. Nelson. “Accessing Medium-Sized Rings via Vinyl Carbocation Intermediates.” Organic Letters 26, no. 5 (February 9, 2024): 1000–1005. https://doi.org/10.1021/acs.orglett.3c04014

“Computational resources were provided by the UCLA Institute for Digital Research and Education.” (Zhao et al., 2024, p. 1004).

Zhou, Qingyang, Garrett Kukier, Igor Gordiy, Roald Hoffmann, Jeffrey I. Seeman, and K. N. Houk. “A 21st Century View of Allowed and Forbidden Electrocyclic Reactions.” The Journal of Organic Chemistry 89, no. 2 (January 19, 2024): 1018–34. https://doi.org/10.1021/acs.joc.3c02103

“The Houk group acknowledges the National Science Foundation (CHE-2153972) and computational resources at UCLA (Hoffman2 Shared Cluster provided by UCLA Institute for Digital Research and Education’s Research Technology Group) and the NSF XSEDE (now ACCESS) (ACI-1548562).” (Zhou et al., 2024, pp. 1031).

Zhou, Xinran, Annie Barnett, Emily H. Mang, Michael L. Falk, Mitra L. Taheri, and Jaime Marian. “Self-Interstitial Atom Properties in Nb–Mo–Ta–W Alloys.” Computational Materials Science 234 (February 1, 2024): 112765. https://doi.org/10.1016/j.commatsci.2023.112765

“Computer time allocations at UCLA’s IDRE Hoffman2 supercomputer are acknowledged.” (Zhou et al., 2024, p. 7).

Zhou, Xinran, Sicong He, and Jaime Marian. “Temperature Dependence of the Strength of Nb-Mo-Ta-W Alloys Due to Screw Dislocations.” Scripta Materialia 239 (January 15, 2024): 115815. https://doi.org/10.1016/j.scriptamat.2023.115815

“Computer time allocations at UCLA’s IDRE Hoffman2 supercomputer are acknowledged.” (Zhou et al., 2024, p. 5).

Zhu, Guo-Zhu, Guanming Lao, Claire E. Dickerson, Justin R. Caram, Wesley C. Campbell, Anastassia N. Alexandrova, and Eric R. Hudson. “Extending the Large Molecule Limit: The Role of Fermi Resonance in Developing a Quantum Functional Group.” The Journal of Physical Chemistry Letters 15, no. 2 (January 18, 2024): 590–97. https://doi.org/10.1021/acs.jpclett.3c03177

“Computational resources were provided by ACCESS and UCLA IDRE.” (Zhu et al., 2024, p. 596).