295 citations · 437 across the 15 of their papers we have counts for
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Configuration sampling in multi-component multi-sublattice systems enabled by ab Initio Configuration Sampling Toolkit (abICS)
Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi +1
Simulation of the intermediate levels of disorder found in multi-component multi-sublattice systems in various functional materials is a challenging issue, even for state-of-the-ar…
Helical magnetic state in the vicinity of the pressure-induced superconducting phase in MnP
S. E. Dissanayake, M. Matsuda, K. Yoshimi +10
MnP is a metal that shows successive magnetic transitions from paramagnetic to ferromagnetic and helical magnetic phases at ambient pressure with decreasing temperature. With appli…
Theoretical analysis of zirconium oxynitride/water interface using neural network potential
Akitaka Nakanishi, Shusuke Kasamatsu, Jun Haruyama +1
Zr oxides and oxynitrides are promising candidates to replace precious metal cathodes in polymer electrolyte fuel cells. Oxygen reduction reaction activity in this class of materia…
Fermi surface reconstruction due to the orthorhombic distortion in Dirac semimetal YbMnSb
Dilip Bhoi, Feng Ye, Hanming Ma +8
Dirac semi-metal with magnetic atoms as constituents delivers an interesting platform to investigate the interplay of Fermi surface (FS) topology, electron correlation, and magneti…