| A unified scheme for ab initio molecular orbital theory and path integral molecular dynamics M Shiga, M Tachikawa, S Miura The Journal of Chemical Physics 115 (20), 9149-9159, 2001 | 139 | 2001 |
| An ab initio path integral molecular dynamics study of double proton transfer in the formic acid dimer S Miura, ME Tuckerman, ML Klein The Journal of chemical physics 109 (13), 5290-5299, 1998 | 132 | 1998 |
| A molecular dynamics study of sub-and supercritical water using a polarizable potential model N Yoshii, H Yoshie, S Miura, S Okazaki The Journal of chemical physics 109 (12), 4873-4884, 1998 | 115 | 1998 |
| A molecular dynamics study of dielectric constant of water from ambient to sub-and supercritical conditions using a fluctuating-charge potential model N Yoshii, S Miura, S Okazaki Chemical physics letters 345 (1-2), 195-200, 2001 | 91 | 2001 |
| Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics M Shiga, M Tachikawa, S Miura Chemical Physics Letters 332 (3-4), 396-402, 2000 | 90 | 2000 |
| A path integral centroid molecular dynamics study of nonsuperfluid liquid helium-4 S Miura, S Okazaki, K Kinugawa The Journal of chemical physics 110 (9), 4523-4532, 1999 | 68 | 1999 |
| Molecular theory for the nonequilibrium free energy profile in electron transfer reaction SH Chong, S Miura, G Basu, F Hirata The Journal of Physical Chemistry 99 (26), 10526-10529, 1995 | 49 | 1995 |
| Path integral molecular dynamics for Bose–Einstein and Fermi–Dirac statistics S Miura, S Okazaki The Journal of Chemical Physics 112 (23), 10116-10124, 2000 | 42 | 2000 |
| Path integral hybrid Monte Carlo algorithm for correlated Bose fluids S Miura, J Tanaka The Journal of chemical physics 120 (5), 2160-2168, 2004 | 36 | 2004 |
| Temperature dependence of the stability of a hydrated electron: an integral equation study S Miura, F Hirata The Journal of Physical Chemistry 98 (38), 9649-9656, 1994 | 35 | 1994 |
| Rotational fluctuation of molecules in quantum clusters. II. Molecular rotation and superfluidity in OCS-doped helium-4 clusters S Miura The Journal of chemical physics 126 (11), 2007 | 32 | 2007 |
| A molecular-dynamics study of the equation of state of water using a fluctuating-charge model N Yoshii, R Miyauchi, S Miura, S Okazaki Chemical Physics Letters 317 (3-5), 414-420, 2000 | 32 | 2000 |
| Density fluctuation and hydrogen-bonded clusters in supercritical water. A molecular dynamics analysis using a polarizable potential model N Yoshii, S Miura, S Okazaki Bulletin of the Chemical Society of Japan 72 (2), 151-162, 1999 | 28 | 1999 |
| Molecular dynamics algorithms for quantum Monte Carlo methods S Miura Chemical Physics Letters 482 (1-3), 165-170, 2009 | 25 | 2009 |
| Rotational fluctuation of molecules in quantum clusters. I. Path integral hybrid Monte Carlo algorithm S Miura The Journal of chemical physics 126 (11), 2007 | 25 | 2007 |
| Efficient algorithms for semiclassical instanton calculations based on discretized path integrals T Kawatsu, S Miura The Journal of Chemical Physics 141 (2), 2014 | 18 | 2014 |
| A variational path integral molecular dynamics study of a solid helium-4 S Miura Computer Physics Communications 182 (1), 274-276, 2011 | 18 | 2011 |
| Variational path integral molecular dynamics and hybrid Monte Carlo algorithms using a fourth order propagator with applications to molecular systems Y Kamibayashi, S Miura The Journal of Chemical Physics 145 (7), 2016 | 16 | 2016 |
| Quantum rotation of carbonyl sulfide molecules in superfluid helium clusters: a path integral hybrid Monte Carlo study S Miura Journal of Physics: Condensed Matter 17 (45), S3259, 2005 | 15 | 2005 |
| A large-scale molecular dynamics study of dynamic structure factor and dispersion relation of acoustic mode in liquid and supercritical water T Komatsu, N Yoshii, S Miura, S Okazaki Fluid phase equilibria 226, 345-350, 2004 | 15 | 2004 |
Noriyuki YoshiiNagoya UniversityBestätigte E-Mail-Adresse bei ccs.engg.nagoya-u.ac.jp
