Publications

The ALCF user community produces numerous publications each year that document their scientific results. These refereed journal articles and conference proceedings represent research ventures that use ALCF computing resources through programs supported by DOE and Argonne National Laboratory.

conference paper
Published

Ang Li, Bo Fang, Christopher Granade, Guen Prawiroatmodjo, Bettina Heim, Martin, Roetteler, Sriram Krishnamoorthy

, "SV-sim: scalable PGAS-based state vector simulation of quantum circuits," SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 2021), no. 97, Dallas, TX, ACM Digital Library. doi: 10.1145/3458817.3476169

conference paper
Published

J. Gregory Pauloski, Qi Huang, Lei Huang, Shivaram Venkataraman, Kyle Chard, Ian Foster, Zhao Zhang

, "KAISA: an adaptive second-order optimizer framework for deep neural networks," SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (November 2021), ACM Digital Library. doi: 10.1145/3458817.3476152

journal article
Published

Baroni, A., King, G.B., Pastore, S., "Electroweak Currents from Chiral Effective Field Theory," Few-Body Systems (October 2021), vol. 62, no. 114, SpringerLink. doi: 10.1007/s00601-021-01700-6

journal article
Published

Kai Fukami,Romit Maulik,Nesar Ramachandra,Koji Fukagata,Kunihiko Taira, "Global field reconstruction from sparse sensors with Voronoi tessellation-assisted deep learning," Nature Machine Intelligence (October 2021), no. 3, Springer Nature , pp. 945-951, . doi: 10.1038/s42256-021-00402-2

conference paper
Published

Pambayun Savira, Thomas Marrinan, Michael E. Papka, "Writing, Running, and Analyzing Large-scale Scientific Simulations with Jupyter Notebooks," 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV) (October 2021), New Orleans, LA, IEEE. doi: 10.1109/ldav53230.2021.00020

conference paper
Published

Anthony Bucaro; Connor Murphy; Nicola Ferrier; Joseph Insley; Victor Mateevitsi; Michael E. Papka; Silvio Rizzi; Jifu Tan, "Instrumenting Multiphysics Blood Flow Simulation Codes for In Situ Visualization and Analysis," 2021 IEEE 11th Symposium on Large Data Analysis and Visualization (LDAV) (October 2021), IEEE. doi: 10.1109/LDAV53230.2021.00018

journal article
Published

A. F. A. Bott, L. Chen, G. Boutoux, T. Caillaud, A. Duval, M. Koenig, B. Khiar, I. Lantuéjoul, L. Le-Deroff, B. Reville, R. Rosch, D. Ryu, C. Spindloe, B. Vauzour, B. Villette, A. A. Schekochihin, D. Q. Lamb, P. Tzeferacos, G. Gregori, A. Casner, "Inefficient Magnetic-Field Amplification in Supersonic Laser-Plasma Turbulence," Physical Review Letters (October 2021), no. 127, APS, pp. 175002, . doi: 10.1103/PhysRevLett.127.175002

journal article
Published

Hiroki Nagakura, Adam Burrows, Lucas Johns, George M. Fuller, "Where, when, and why: Occurrence of fast-pairwise collective neutrino oscillation in three-dimensional core-collapse supernova models," Physical Review D (October 2021), vol. 104, APS, pp. 083025, . doi: 10.1103/PhysRevD.104.083025

conference paper
Published

Milorad B. Dzodzo, "Validation of Computational Fluid Dynamics Models for Industrial Applications ," 2021 28th International Conference on Nuclear Engineering (October 2021), Virtual, Online, ASME. doi: 10.1115/ICONE28-66712

journal article
Published

Buu Q. Pham, Dipayan Datta, Mark S. Gordon, "PDG: A Composite Method Based on the Resolution of the Identity," The Journal of Physical Chemistry A (October 2021), vol. 125, no. 42, ACS Publications, pp. 9421-9429, . doi: 10.1021/acs.jpca.1c06186

journal article
Published

Dettrick, S. A., D. C. Barnes, F. Ceccherini, L. Galeotti, S. A. Galkin, S. Gupta, K. Hubbard, O. Koshkarov, C. K. Lau, Y. Mok, A. Necas, B. S. Nicks, M. Onofri, J. Park, S. V. Putvinski, L. C. Steinhauer, K. Yakymenko, P. N. Yushmanov, T. Tajima, E. V. Belova, Z. Lin, W. Wang, and X. Wei, " Simulation of Equilibrium and Transport in Advanced FRCS," Nuclear Fusion (October 2021), IOP Publishing. doi: 10.1088/1741-4326/ac1e5f

journal article
Published

D. Bollweg, J. Goswami, O. Kaczmarek, F. Karsch, Swagato Mukherjee, P. Petreczky, C. Schmidt, P. Scior (HotQCD Collaboration), "Second order cumulants of conserved charge fluctuations revisited: Vanishing chemical potentials," Physical Review D (October 2021), no. 104, APS, pp. 074512, . doi: 10.1103/PhysRevD.104.074512

journal article
Published

Anda Trifan, Defne Gorgun, Zongyi Li, Alexander Brace, Maxim Zvyagin, Heng Ma, Austin Clyde, David Clark, Michael Salim, David J. Hardy, Tom Burnley, Lei Huang, John McCalpin, Murali Emani, Hyenseung Yoo, Junqi Yin, Aristeidis Tsaris, Vishal Subbiah, Tanveer Raza, Jessica Liu, Noah Trebesch, Geoffrey Wells, Venkatesh Mysore, Thomas Gibbs, James Phillips, S. Chakra Chennubhotla, Ian Foster, Rick Stevens, Anima Anandkumar, Venkatram Vishwanath, John E. Stone, Emad Tajkhorshid, Sarah A. Harris, Arvind Ramanathan, "Intelligent Resolution: Integrating Cryo-EM with AI-driven Multi-resolution Simulations to Observe the SARS-CoV-2 Replication-Transcription Machinery in Action," SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis (October 2021), IEEE. doi: 10.1101/2021.10.09.463779

journal article
Published

Agastya P. Bhati, Shunzhou Wan, Dario Alfe, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, Andre Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmuller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney, "Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers," Interface Focus (October 2021), vol. 11, no. 6, The Royal Society. doi: 10.1098/rsfs.2021.0018

journal article
Published

Brandon C. Wood, Joel B. Varley, Kyoung E. Kweon, Patrick Shea, Alex T. Hall, Andrew Grieder, Michael Ward, Vincent P. Aguirre, Dylan Rigling, Eduardo Lopez Ventura, Chimara Stancill and Nicole Adelstein, "Paradigms of frustration in superionic solid electrolytes," Royal Society (October 2021), vol. 379, no. 2211, The Royal Society. doi: 10.1098/rsta.2019.0467

book chapter
Published

Chaojie Zhang, Andrew A. Chien, "Scheduling Challenges for Variable Capacity Resources," JSSPP 2021 (October 2021), Springer International Publishing, pp. 190-209, . doi: 10.1007/978-3-030-88224-2_10

journal article
Published

Nicholas Jackson, Ganesh Sivaraman, "Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning," Creative Commons (October 2021), no. 1, ScienceGate. doi: 10.33774/chemrxiv-2021-bkdfv

journal article
Published

Young-Ho Song, Youngman Kim, Ning Li, Bing-Nan Lu, Rongzheng He, Dean Lee, "Quantum many-body calculations using body-centered cubic lattices," Physical Review C (October 2021), no. 104, APS, pp. 044304, . doi: 10.1103/PhysRevC.104.044304

journal article
Published

Nicholas Summerfield, Bing-Nan Lu, Christopher Plumberg, Dean Lee, Jacquelyn Noronha-Hostler,Anthony Timmins, "16 O 16 O collisions at energies available at the BNL Relativistic Heavy Ion Collider and at the CERN Large Hadron Collider comparing α clustering versus substructure," Physical Review C (October 2021), vol. 104, APS, pp. L041901, . doi: 10.1103/PhysRevC.104.L041901

journal article
Published

Alex Luna, Joel Bernanke, Kakyeong Kim, Natalie Aw, Jordan D Dworkin, Jiook Cha, Jonathan Posner, "Maturity of gray matter structures and white matter connectomes, and their relationship with psychiatric symptoms in youth," PubMed (October 2021), no. 42, National Library of Medicine. doi: 10.1002/hbm.25565