40 citations · 164 across the 11 of their papers we have counts for
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physics.chem-ph2016★ 5 cited
A screened automated structural search with semiempirical methods
Yukihiro Ota, Sergi Ruiz-Barragan, Masahiko Machida +1
We developed an interface program between a program suite for an automated search of chemical reaction pathways, GRRM, and a program package of semiempirical methods, MOPAC. A two-…
physics.chem-ph2016★ 22 cited
On the hierarchical parallelization of ab initio simulations
Sergi Ruiz-Barragan, Kazuya Ishimura, Motoyuki Shiga
A hierarchical parallelization has been implemented in a new unified code PIMD-SMASH for ab initio simulation where the replicas and the Born-Oppenheimer forces are parallelized. I…