研究業績
学術論文（査読あり）
| # | Journal |
|---|---|
| 1 | K. Sodeyama, H. Nishizawa, M. Hoshino, M. Kobayashi, H. Nakai, "Hybrid treatment combining the translation- and rotation-free nuclear orbital plus molecular orbital theory with generator coordinate method: TRF-NOMO/GCM", Chem. Phys. Lett., 433 (2006) 409–415. doi: 10.1016/j.cplett.2006.11.054 |
| 2 | M. Hoshino, H. Nishizawa, H. Nakai, "Rigorous non-Born-Oppenheimer theory: combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory", J. Chem. Phys., 135 (2011) 024111 (13 pages). doi: 10.1063/1.3609806 |
| 3 | H. Nishizawa, M. Hoshino, Y. Imamura, H. Nakai, "Evaluation of electron repulsion integral of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory", Chem. Phys. Lett., 521 (2012) 142–149. doi: 10.1016/j.cplett.2011.11.023 |
| 4 | H. Nishizawa, Y. Imamura, Y. Ikabata, H. Nakai, "Development of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory: Incorporation of electron-electron correlation", Chem. Phys. Lett., 533 (2012) 100–105. doi: 10.1016/j.cplett.2012.02.070 |
| 5 | H. Nishizawa, H. Okumura, "Comparison of Replica-Permutation Molecular Dynamics Simulations with and without Detailed Balance Condition", J. Phys. Soc. Jpn., 84 (2015) 074801 (6 pages). doi: 10.7566/JPSJ.84.074801 |
| 6 | L. Veis, J. Višňák, H. Nishizawa, H. Nakai, J. Pittner, "Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: a simulated phase estimation study", Int. J. Quant. Chem., 116 (2018) 1328–1336. doi: 10.1002/qua.25176 |
| 7 | H. Nishizawa, Y. Nishimura, M. Kobayashi, S. Irle, H. 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 (2016) 1983–1992. doi: 10.1002/jcc.24419 |
| 8 | H. Nishizawa, H. Okumura, "Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method", J. Comput. Chem., 37 (2016) 2701–2711. doi: 10.1002/jcc.24497 |
| 9 | H. Nishizawa, H. Okumura, "Classical Molecular Dynamics Simulation to Understand Role of a Zinc Ion for Aggregation of Amyloid-β Peptides", J. Comput. Chem. Jpn., 17 (2018) 76–79. doi: 10.2477/jccj.2018-0005 |
| 10 | Y. Ikabata, R. Aiba, T. Iwanade, H. Nishizawa, F. Wang, H. Nakai, "Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation", J. Chem. Phys., 148 (2018) 184110 (9 pages). doi: 10.1063/1.5019805 |
国内学会
| # | 講演題目 |
|---|---|
| データベースに登録中です |
国際会議
| # | 講演題目 |
|---|---|
| データベースに登録中です |