M. Shiga's page

Updates

Apr. 1, 2017 Mr. Yong Lik Chang (Univ. of Tokyo) has joined our group

Mar. 31, 2016 Dr. Sergi Ruiz-Barragán has departed (presently Research Associate in Marx Group, Ruhr University Bochum)

Sep. 29, 2015 Publications updated

Oct. 1, 2014 Dr. Sergi Ruiz-Barragán has joined our group

Aug. 31, 2014 In new design

May. 1, 2011 My office has moved to Kashiwa

Sep.28, 2010  Website created


PIMD:  A Software for Molecular Simulations

Aug. 1, 2016 PIMD version 2.0 has been released.

Selected Papers

M. Shiga, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (2018). "Path Integral Simulations"

S. Ruiz-Barragan, J. Ribas-Arino, M. ShigaPhys. Chem. Chem. Phys., 18, 32438-32447 (2016)"The Reaction Mechanism of Polyalcohol Dehydration in Hot Pressurized Water"

S. Vela, F. Mota, M. Deumal, R. Suizu, Y. Shuku, A. Mizuno, K. Awaga, M. Shiga, J. Novoa, J. Ribas-Arino, Nature Commun., 5, 4411 (2014) (9 pages). "The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials"

M. Shiga, M. Masia, J. Chem. Phys., 139, 044120 (2013) (8 pages). "Boundary based on Exchange Symmetry Theory for Multilevel Simulations I. Basic Theory"

M. Yamaguchi, M. Shiga, H. Kaburaki, Science 307, 393-397 (2005). “Grain-boundary decohesion by impurity segregation in a nickel-sulfur system”

Awards and Prizes

志賀基之、
"水素の量子統計的ゆらぎを考慮した第一原理分子動力学計算"、分子科学会奨励賞(2010)   pdf 

志賀基之"水素・重水素の量子統計力学を反映した量子論的分子シミュレーション"、分子シミュレーション研究会学術賞(2010)   pdf