Yoshifumi Nishimura

Publication Activity (10 Years)

Years Active: 2016-2020
Publications (10 Years): 6

Top Topics

Charge Coupled Devices

Parallel Implementation

Molecular Dynamics

Top Venues

J. Comput. Chem.

Publications

Yoshifumi Nishimura, Hiromi Nakai
Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations. J. Comput. Chem. 41 (19) (2020)
Mayu Inamori, Takeshi Yoshikawa, Yasuhiro Ikabata, Yoshifumi Nishimura, Hiromi Nakai
Spin-flip approach within time-dependent density functional tight-binding method: Theory and applications. J. Comput. Chem. 41 (16) (2020)
Takeshi Yoshikawa, Nana Komoto, Yoshifumi Nishimura, Hiromi Nakai
GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding. J. Comput. Chem. 40 (31) (2019)
Yoshifumi Nishimura, Hiromi Nakai
Dcdftbmd: Divide-and-Conquer Density Functional Tight-Binding Program for Huge-System Quantum Mechanical Molecular Dynamics Simulations. J. Comput. Chem. 40 (15) (2019)
Yoshifumi Nishimura, Hiromi Nakai
Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculations. J. Comput. Chem. 39 (2) (2018)
Hiroaki Nishizawa, Yoshifumi Nishimura, Masato Kobayashi, Stephan Irle, Hiromi Nakai
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation. J. Comput. Chem. 37 (21) (2016)