10 citations · 22 across the 4 of their papers we have counts for
4 papers
Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and quantum many-body effects
Kenji Sugisaki, V. S. Prasannaa, Satoshi Ohshima +4
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applica…
A portable code for dissipative particle dynamics (DPD) simulations with additional specific interactions
Hideo Doi, Koji Okuwaki, Takamitsu Naito +2
We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of construc…
Application of TensorFlow to recognition of visualized results of fragment molecular orbital (FMO) calculations
Sona Saitou, Jun Iijima, Mayu Fujimoto +4
We have applied Google's TensorFlow deep learning toolkit to recognize the visualized results of the fragment molecular orbital (FMO) calculations. Typical protein structures of al…
Optimal damping algorithm for unrestricted Hartree-Fock calculations
Jun-ichi Yamamoto, Yuji Mochizuki
We have developed a couple of optimal damping algorithms (ODAs) for unrestricted Hartree-Fock (UHF) calculations of open-shell molecular systems. A series of equations were derived…