Tadashi Murase
NEC Soft
12 Papers
8 Citations
Tadashi Murase is an academic researcher from NEC Soft. The author has contributed to research in topics: Transformation (function) & Parallel algorithm. The author has an hindex of 3, co-authored 12 publications. Previous affiliations of Tadashi Murase include NEC.
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Papers
Parallelized integral-direct CIS(D) calculations with multilayer fragment molecular orbital scheme
Yuji Mochizuki,Kiyoshi Tanaka,Katsumi Yamashita,Takeshi Ishikawa,Tatsuya Nakano,Shinji Amari,Katsunori Segawa,Tadashi Murase,Hiroaki Tokiwa,Minoru Sakurai +9 more
TL;DR: A parallelized integral-direct code of the perturbative doubles correction for configuration interaction with singles, proposed as CIS(D) by Head-Gordon et al. as discussed by the authors, was developed.
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Molecular dynamics calculations of wild type vs. mutant protein C: relationship between binding affinity to endothelial cell protein C receptor and hereditary disease.
Takafumi Nakagawa,Yasuo Shikamoto,Hiroshi Mizuno,Tadashi Murase,Hajime Ishii,Toru Nakabayashi,Masahiro Ieko,Kazuhiro Mizukami,Sumiyoshi Naitoh,Mika Takeda,T Tarumi,Hiroki Kaneko +11 more
TL;DR: The results suggest that the Gla 25 → Lys mutation causes a significant reduction in the binding force between protein C Gla domain and EPCR due to destabilization of the helix structure of E PCR and displacement of a Ca2+ ion.
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Patent
Parallel calculation method
Toshikazu Takada,Kazuto Nakata,Tadashi Murase,Toshihiro Sakuma +3 more
- 25 Sep 2002
TL;DR: In this article, a parallel computing method by using a parallel computer having a plurality of processors is provided, wherein when a 2-electron integration is transformed from an atomic-orbital base (rs|tu) to a molecular orbit base (ab|cd), indexes r and s of an atomic orbital to be calculated are designated for the plurality of nodes and each node performs processing for all combinations of designated indexes R and S.
3
A parallel algorithm for generating molecular integrals over MO basis sets
TL;DR: In this paper, a parallel integral-driven algorithm is presented for the integral transformation, which is the most time consuming process for large-scale calculations, and parallelization is key to minimize the computer time for it.
3
A Parallel Algorithm for Generating Molecular Integrals over MO Basis Sets
Kazuto Nakata,Tadashi Murase,Toshihiro Sakuma,Toshikazu Takada +3 more
- 01 Aug 2002
TL;DR: A parallel integral-driven algorithm is presented for the integral transformation of Hartree–Fock theories such as multi-configuration self consistent field and configuration interaction.
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