35 citations · 97 across the 4 of their papers we have counts for
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physics.chem-ph2017★ 19 cited
Cysteine and cystine adsorption on FeS(100)
Teppei Suzuki, Taka-aki Yano, Masahiko Hara +1
Iron pyrite (FeS) is the most abundant metal sulfide on Earth. Owing to its reactivity and catalytic activity, pyrite has been studied in various research fields such as surf…
cond-mat.mtrl-sci2017★ 13 cited
Canonical-ensemble extended Lagrangian Born-Oppenheimer molecular dynamics for the linear scaling density functional theory
Teruo Hirakawa, Teppei Suzuki, David R. Bowler +1
We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian…