Skip to Content

So Hirata

University of Illinois at Urbana-Champaign



M. A. Salim and S. Hirata (2018): Embedded-fragment VB theory, (in preparation)
C. M. Johnson, A. E. Doran, S. Ten-no, and S. Hirata (2018): Monte Carlo explicitly correlated second-order many-body Green’s function theory, (in preparation)
M. A. Salim and S. Hirata (2018): Ab initio phase diagram of ice Ih, II, III, V, VI, and IX, (in preparation)


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


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


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


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
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