So Hirata

University of Illinois at Urbana-Champaign

Chemistry

2017

S. Hirata, K. Gilliard, X. He, M. Ke├želi, 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

2016

Michael A. Salim, Soohaeng Yoo Willow, and So Hirata (2016): Ice Ih Anomalies: Thermal Contraction, Anomalous Volume Isotope Effect, and Pressure-Induced Amorphization, The 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?, J. Phys. Chem. Lett., American Chemical Society (ACS), 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, Sci. Rep., Nature Publishing Group, Vol 5, pp14358

2014

S. Hirata (2014): Ab Initio Solid-State Chemistry, presented at the American Conference on Theoretical Chemistry, Telluride, Colorado, U.S.A.
S. Hirata (2014): A Few Potentially Controversial Issues in Many-Body Theory, presented at the Low-scaling and Unconventional Electronic Structure Techniques Conference (LUEST), Telluride, Colorado, U.S.A.

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, J. Chem. Theory Comput., American Chemical Society (ACS), Vol 9, Num 10, pp4396--4402
S. Hirata: Ice and Water on Blue Waters
Blue Waters Symposium 2015, May 10, 2015
S. Hirata: Ice and Water on Blue Waters
Blue Waters Symposium 2015, May 11, 2015