Masuhiro Mikami

发表

Development of General Purpose Molecular Dynamics Simulator for Large Scaled System of Complex Materials

Masuhiro Mikami, Wataru Shinoda, Chin Liew Chie, 2001 .

Efficient free energy calculation of water across lipid membranes

Masuhiro Mikami, Wataru Shinoda, Keiko Shinoda, 2008, J. Comput. Chem..

Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2004, J. Comput. Chem..

Development of General Purpose Molecular Dynamics Simulation System TACPACK 2000 III - Systematization technologies -

Kiyoyuki Terakura, Masuhiro Mikami, Wataru Shinoda, 2001 .

Rigid‐body dynamics in the isothermal‐isobaric ensemble: A test on the accuracy and computational efficiency

Masuhiro Mikami, Wataru Shinoda, W. Shinoda, 2003, J. Comput. Chem..

Analysis of the intermolecular interaction between CH3OCH3, CF3OCH3, CF3OCF3, and CH4: High level ab initio calculations

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2002, J. Comput. Chem..

Visual Simulation of Molecular Systems

Masuhiro Mikami, Mikio Sasaki, 1986 .

Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method

Masuhiro Mikami, Masaaki Kawata, 2000, J. Comput. Chem..

On‐the‐fly reconstruction of free‐energy profiles using logarithmic mean‐force dynamics

Masuhiro Mikami, Tetsuya Morishita, Hisashi Okumura, 2013, J. Comput. Chem..

Effects of the higher electron correlation correction on the calculated intermolecular interaction energies of benzene and naphthalene dimers: comparison between MP2 and CCSD(T) calculations

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2000 .

Surface reconstruction of ultrathin silicon nanosheets

Masuhiro Mikami, Salvy P. Russo, Tetsuya Morishita, 2011 .

Replica-exchange Monte Carlo method for the isobaric isothermal ensemble

Yuko Okamoto, Masuhiro Mikami, Masaaki Kawata, 2001 .

High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2004, The Journal of chemical physics.

Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2005, The Journal of chemical physics.

Replica-Exchange Monte Carlo Method for Ar Fluid

Yuko Okamoto, Takeshi Nishikawa, Masuhiro Mikami, 2000 .

High-Level ab Initio Calculations of Interaction Energies of C2H4-CH4and C2H6-CH4Dimers: A Model Study of CH/π Interaction

Kazumasa Honda, Masuhiro Mikami, Kazutoshi Tanabe, 1999 .

Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.

Masuhiro Mikami, Wataru Shinoda, Seiji Tsuzuki, 2009, The journal of physical chemistry. B.

Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers

Masuhiro Mikami, Tadafumi Uchimaru, Shingo Urata, 2002 .

Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers.

Masuhiro Mikami, Wataru Shinoda, W. Shinoda, 2004, The Journal of chemical physics.

Enhanced sampling via strong coupling to a heat bath: relationship between Tsallis and multicanonical algorithms.

Masuhiro Mikami, Tetsuya Morishita, 2007, The Journal of chemical physics.

First-principles study of structural and electronic properties of ultrathin silicon nanosheets

Masuhiro Mikami, Salvy P. Russo, Tetsuya Morishita, 2010 .

The Origin of the Cation/π Interaction: The Significant Importance of the Induction in Li+ and Na+ Complexes

Masuhiro Mikami, Masaru Yoshida, Tadafumi Uchimaru, 2001 .

NEW MEDIUM-SIZE BASIS SETS TO EVALUATE THE DISPERSION INTERACTION OF HYDROCARBON MOLECULES

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1998 .

Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2006, The Journal of chemical physics.

A coarse-grained model for particle dynamics simulations of complex fluids

Masuhiro Mikami, Chee Chin Liew, 2003 .

High Level ab Initio Calculations of Intermolecular Interaction of Propane Dimer: Orientation Dependence of Interaction Energy

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2002 .

Effects of basis set and electron correlation on the calculated interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z calculations of H2O–MeOH,H2O–Me2O,H2O–H2CO, MeOH–MeOH, and HCOOH–HCOOH complexes

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1999 .

Energy profile of the interconversion path between T-shape and slipped-parallel benzene dimers

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2002 .

Computationally efficient canonical molecular dynamics simulations by using a multiple time‐step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method

Masuhiro Mikami, Masaaki Kawata, 2000 .

Acceleration of the canonical molecular dynamics simulation by the particle mesh Ewald method combined with the multiple time-step integrator algorithm

Masuhiro Mikami, Masaaki Kawata, 1999 .

Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction.

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2006, The journal of physical chemistry. A.

Rapid calculation of two-dimensional Ewald summation

Masuhiro Mikami, Masaaki Kawata, M. Mikami, 2001 .

Basis set effects on the calculated bonding energies of neutral benzene dimers: importance of diffuse polarization functions

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1996 .