So Hirata

2021

Alexander E. Doran, David L. Qiu, and So Hirata (2021): Monte Carlo MP2-F12 for Noncovalent Interactions: The C$\less$sub$\greater$60$\less$/sub$\greater$ Dimer, The Journal of Physical Chemistry A, American Chemical Society (ACS), Vol 125, Num 33, pp7344--7351

2020

Alexander A. Kunitsa and So Hirata (2020): Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation, Physical Review E, American Physical Society, Vol 101, Num 1, pp013311
Alexander E. Doran and So Hirata (2020): Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling, Journal of Chemical Physics, AIP Publishing, Vol 153, Num 10, pp104112
Alexander E. Doran and So Hirata (2020): Convergence acceleration of Monte Carlo many-body perturbation methods by using many control variates, Journal of Chemical Physics, AIP Publishing, Vol 153, Num 9, pp094108

2019

Alexander E. Doran and So Hirata (2019): Monte Carlo Second- and Third-Order Many-Body Green’s Function Methods with Frequency-Dependent, Nondiagonal Self-Energy, Journal of Chemical Theory and Computation, The American Chemical Society, Vol 15, Num 11, pp6097-6110

2018

Cole M. Johnson, Alexander E. Doran, Seiichiro L. Ten-no, and So Hirata (2018): Monte Carlo Explicitly Correlated Many-Body Green's Function Theory, Journal of Chemical Physics, AIP Publishing, Vol 149, Num 17, pp174112

2017

Cole M. Johnson, So Hirata, and Seiichiro Ten-no (2017): Explicit Correlation Factors, Chemical Physics Letters, Elsevier BV, Vol 683, pp247--252
S. Hirata, K. Gilliard, X. He, M. Keçeli, J. Li, M. A. Salim, O. Sode, and K. Yagi (2017): Ab Initio Ice, Dry Ice, and Liquid Water, Wiley, Chichester, Fragmentation: Toward Accurate Calculations on Complex Molecular Systems, pp245-295

2016

Cole M. Johnson, Alexander E. Doran, Jinmei Zhang, Edward F. Valeev, and So Hirata (2016): Monte Carlo Explicitly Correlated Second-Order Many-Body Perturbation Theory, Journal of Chemical Physics, AIP Publishing, Vol 145, Num 15, pp154115
Alexander E. Doran and So Hirata (2016): Monte Carlo MP2 on Many Graphical Processing Units, Journal of Chemical Theory and Computation, American Chemical Society, Vol 12, Num 10, pp4821-4832
Michael A. Salim, Soohaeng Yoo Willow, and So Hirata (2016): Ice Ih Anomalies: Thermal Contraction, Anomalous Volume Isotope Effect, and Pressure-Induced Amorphization, Journal of Chemical Physics, AIP Publishing, Vol 144, Num 20, pp204503
Soohaeng Yoo Willow, Xiao Cheng Zeng, Sotiris S. Xantheas, Kwang S. Kim, and So Hirata (2016): Why Is MP2-Water "Cooler" and "Denser" Than DFT-Water?, Journal of Physical Chemistry Letters, American Chemical Society, Vol 7, Num 4, pp680-684

2015

Soohaeng Yoo Willow, Michael A. Salim, Kwang S. Kim, and So Hirata (2015): Ab Initio Molecular Dynamics of Liquid Water Using Embedded-Fragment Second-Order Many-Body Perturbation Theory Towards Its Accurate Property Prediction, Scientific Reports, Nature Publishing Group, Vol 5, pp14358

2013

Soohaeng Yoo Willow, Matthew R. Hermes, Kwang S. Kim, and So Hirata (2013): Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers, Journal of Chemical Theory and Computation, American Chemical Society, Vol 9, Num 10, pp4396-4402

2019

So Hirata, Alexander E. Doran (2019): Toward Predictive Computational Design of Precision Molecular Optoelectronics, 2019 Blue Waters Annual Report, pp264-265

2018

So Hirata, Cole M. Johnson, Alexander E. Doran (2018): Toward Predictive Computational Design of Precision Molecular Optoelectronics, 2018 Blue Waters Annual Report, pp228-229

2017

So Hirata (2017): Brueckner–Goldstone Quantum Monte Carlo, 2017 Blue Waters Annual Report, pp216-217

2016

So Hirata (2016): Ice and Water, 2016 Blue Waters Annual Report, pp214-216

2015

So Hirata (2015): Ice and Water, 2015 Blue Waters Annual Report, pp142-142
So Hirata: Ice and Water on Blue Waters
Blue Waters Symposium 2015, May 11, 2015

So Hirata: Ab Initio Solid-State Chemistry


The American Conference on Theoretical Chemistry; Telluride, Colorado, U.S.A., Jul 22, 2014

So Hirata: A Few Potentially Controversial Issues in Many-Body Theory


Low-scaling and Unconventional Electronic Structure Techniques Conference (LUEST) 2014; Telluride, Colorado, U.S.A., Jun 3, 2014

So Hirata: Predictive Computing of Advanced Materials and Ices


Blue Waters Symposium 2014, May 15, 2014

Work on Blue Waters Earns Illinois Professors Editor’s Choice Pick


Jun 8, 2016

The blazing fast processing speed of the Blue Waters supercomputer yielded frigid results and a hot honor for University of Illinois at Urbana-Champaign chemistry professor So Hirata. Selected by the National Center for Supercomputing Applications last year as a Blue Waters Professor, Hirata was able to take advantage of the computing time set aside for these distinguished researchers to explore a very cold topic: ice. And a resulting article was tapped as an “editor’s pick” by the Journal of Chemical Physics and featured on the journal’s website the week of May 30th.


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12 Illinois faculty awarded prestigious Blue Waters Professorships


Feb 4, 2014

Twelve University of Illinois faculty members from a range of fields have been selected as Blue Waters Professors, an honor that comes with substantial computing and data resources on the Blue Waters supercomputer at the university’s National Center for Supercomputing Applications (NCSA).


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