M. Mikami

Analysis of CeO2 Adsorption to Various Materials (SiO2, Si3N4, poly-Si) on the Surface of Semiconductor Substrates by First-Principles Calculation
20230 citationsauthor #8
Description Electronic and optical properties of polyicosahedral Si nanostructures: A first-principles study
20190 citationsauthor #5
Molecular Dynamics Study of Ganglioside GM3/DPPC Membrane by Using Coarse-Grained Model
20160 citationsauthor #5
On‐the‐fly reconstruction of free‐energy profiles using logarithmic mean‐force dynamics
20138 citationsauthor #4
Magnitude of CH/O interactions between carbohydrate and water
201210 citationsauthor #3
Free-energy calculation via mean-force dynamics using a logarithmic energy landscape.
201231 citationsauthor #4
Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.
201124 citationsauthor #3
The electronic and structural properties of novel organomodified Si nanosheets.
201132 citationsauthor #3
Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids.
201151 citationsauthor #4
Surface reconstruction of ultrathin silicon nanosheets
201150 citationsauthor #5
1A1324 Molecular Dynamics Study on Effects of Concentrations of GM1 ganglioside on physical properties of the phospholipid membranes(Biol & Artifi memb 1: Structure & Property, Dynamics,The 49th Annual Meeting of the Biophysical Society of Japan)
20110 citationsauthor #3
The shear hysteresis in lamellar structure of surfactant-water binary system
20101 citationsauthor #3
Molecular dynamics study of the effects of chain properties on the order formation dynamics of self-assembled monolayers of long-chain molecules.
20105 citationsauthor #2
First-principles lattice energy calculation of urea and hexamine crystals by a combination of periodic DFT and MP2 two-body interaction energy calculations.
201034 citationsauthor #4
Interactions of perfluoroalkyltrifluoroborate anions with li ion and imidazolium cation: effects of perfluoroalkyl chain on motion of ions in ionic liquids.
201040 citationsauthor #5
Mechanism of orientational isomerism of unsymmetrical guests in a heterodimeric capsule: analysis by ab initio molecular orbital calculations.
201011 citationsauthor #3
Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diode
20102 citationsauthor #4
2P252 Molecular dynamics study of gangliosides embedded in lipid membranes(The 48th Annual Meeting of the Biophysical Society of Japan)
20100 citationsauthor #3
26aPS-4 Coarse-grained molecular dynamics study on the formation of liposome
20100 citationsauthor #2
First-principles study of structural and electronic properties of ultrathin silicon nanosheets
201050 citationsauthor #6
Reversible structure transformation in ice nanocluster.
20096 citationsauthor #2
Computational exploration of novel silicon nanostructures
20090 citationsauthor #5
25pQE-6 Dynamic coexistence of solidlike phases in an ice nanocluster
20090 citationsauthor #2
Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.
200946 citationsauthor #3
Intermolecluar interactions of fucose with aromatic molecules: Analysis by ab initio molecular orbital calculations
20090 citationsauthor #3
Thermoelectric properties of Sb-doped Heusler Fe2VAl alloy
200933 citationsauthor #1
Fluorination effects on structure and dynamics of phospholipid bilayer : A molecular dynamics study
200910 citationsauthor #3
Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.
2009220 citationsauthor #4
Formation of single-and double-layer silicon in slit pores
200860 citationsauthor #3
Analysis of interactions between 1-butyl-3-methylimidazolium cation and halide anions (Cl−, Br− and I−) by ab initio calculations: anion size effects on preferential locations of anions
200839 citationsauthor #3
Electronic and optical properties of polyicosahedral Si nanostructures : A first-principles study
20088 citationsauthor #5
Formation of silicon-fullerene-linked nanowires inside carbon nanotubes: A molecular-dynamics and first-principles study
20087 citationsauthor #4
Enhanced hydrophobicity of fluorinated lipid bilayer: a molecular dynamics study.
200811 citationsauthor #3
The effect of the sodium and iodine doping on the electronic band structure of the polyicosahedral Si nanowire: A first principles study.
20080 citationsauthor #5
CH/pi interactions in methane clusters with polycyclic aromatic hydrocarbons.
200849 citationsauthor #5
Efficient free energy calculation of water across lipid membranes
200824 citationsauthor #3
Molecular dynamics simulation of an archaeal lipid bilayer with sodium chloride.
200724 citationsauthor #3
Enhanced sampling via strong coupling to a heat bath: relationship between Tsallis and multicanonical algorithms.
200713 citationsauthor #2
Multicanonical Monte Carlo calculation of the first-order phase transition of lennard-jones fluids
20075 citationsauthor #3
Development of high-strength Fe2VAl thermoelectric module designed for a motorcycle
20071 citationsauthor #1
Origin of attraction, magnitude, and directionality of interactions in benzene complexes with pyridinium cations.
2007148 citationsauthor #2
Novel polyicosahedral Si nanowire: A molecular-dynamics study.
20070 citationsauthor #4
Molecular dynamics study of crystallization of polymer systems confined in small nanodomains.
200731 citationsauthor #2
Theoretical analysis of the hydrogen bond of imidazolium C(2)-H with anions.
2007190 citationsauthor #3
Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction.
2006118 citationsauthor #3
Intermolecular interactions of nitrobenzene-benzene complex and nitrobenzene dimer: significant stabilization of slipped-parallel orientation by dispersion interaction.
200650 citationsauthor #4
Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: significant difference from hydrogen bond.
2006108 citationsauthor #4
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.
200694 citationsauthor #4
Introduction to molecular simulation
20063 citationsauthor #1
Molecular dynamics simulations of self-organized polyicosahedral Si nanowire.
200624 citationsauthor #4
50. Molecular dynamics simulation of polymer crystallization in confined nano-domains(poster presentation,Soft Matter as Structured Materials)
20050 citationsauthor #2
Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction.
200581 citationsauthor #4
Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol
20058 citationsauthor #6
Molecular dynamics simulation of swollen membrane of perfluorinated ionomer.
2005178 citationsauthor #6
Molecular dynamics simulation of icosahedral Si quantum dot formation from liquid droplets
200515 citationsauthor #4
Molecular dynamics study of bipolar tetraether lipid membranes.
200574 citationsauthor #4
Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers.
200535 citationsauthor #6
Spatial confinement effect on the atomic structure of solid argon.
200512 citationsauthor #4
Dynamics of a highly branched lipid bilayer: a molecular dynamics study
200434 citationsauthor #2
Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers.
200468 citationsauthor #4
New approach to the first-order phase transition of Lennard-Jones fluids.
200411 citationsauthor #3
Order Formation Dynamics in the Early Stage of Melt Crystallization of Polymer Systems
20040 citationsauthor #4
Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: comparison with propane dimer.
200420 citationsauthor #3
Molecular Dynamics Study on the Effects of Chain Branching on the Physical Properties of Lipid Bilayers: 2. Permeability
2004118 citationsauthor #2
Molecular dynamics study of the Lipid Bilayers: Effects of the Chain Branching on the Structure and Dynamics
20042 citationsauthor #2
High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.
2004152 citationsauthor #4
Intermolecular interaction between the pendant chain of perfluorinated ionomer and water
200428 citationsauthor #6
Nanostructure Formation in Polymer Thin Films: Dissipative Particle Dynamics Simulation Using a Space‐Time Coarse‐Grained Model
20040 citationsauthor #2
Magnitude of Interaction between n-Alkane Chains and Its Anisotropy: High-Level ab Initio Calculations of n-Butane, n-Petane, and n-Hexane Dimers
200446 citationsauthor #4
Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3
200413 citationsauthor #4
Two-dimensional self-assembled structures of adenine molecules: modeling and simulation
200414 citationsauthor #6
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress
2004955 citationsauthor #3
Molecular Dynamics Study on the Effect of Chain Branching on the Physical Properties of Lipid Bilayers: Structural Stability
200357 citationsauthor #2
Is the cation/π interaction in alkaline-earth-metal dication/benzene complexes a covalent interaction?
200348 citationsauthor #3
A Space-time Coarse-grained Model for Particle Simulations of Soft Matter
20030 citationsauthor #2
A Comparison of Straight- and Branch-Chained Lipid Bilayers for the Static and Dynamic Properties: A molecular dynamics study
20030 citationsauthor #3
Ab Initio Calculations of Intermolecular Interaction of CHF3 Dimer: Origin of Attraction and Magnitude of CH/F Interaction
200320 citationsauthor #3
Simulation study of the order formation dynamics in the melt crystallization of flexible chain molecules induced by rigid molecular nuclei
20037 citationsauthor #3
A coarse-grained model for particle dynamics simulations of complex fluids
200312 citationsauthor #2
Rigid‐body dynamics in the isothermal‐isobaric ensemble: A test on the accuracy and computational efficiency
2003104 citationsauthor #2
1G0930 A comparison of straight- and branch-chained lipid bilayers for the static and dynamic properties a molecular dynamics study.
20020 citationsauthor #2
Computationally efficient method to calculate the Coulomb interactions in three-dimensional systems with two-dimensional periodicity
200235 citationsauthor #2
Response to “Comment on ‘Rapid calculation of the Coulomb component of the stress tensor for three-dimensional systems with two-dimensional periodicity’ ” [J. Chem. Phys. 117, 3524 (2002)]
200210 citationsauthor #2
Reversible and Hierarchical Coarse-grained Particle Model and Dynamics Simulation Method for Complex fluids
20020 citationsauthor #2
Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers
200238 citationsauthor #3
Analysis of the intermolecular interaction between CH3OCH3, CF3OCH3, CF3OCF3, and CH4: High level ab initio calculations
200211 citationsauthor #3
The interaction of benzene with chloro- and fluoromethanes: Effects of halogenation on CH/π interaction
200284 citationsauthor #4
Energy profile of the interconversion path between T-shape and slipped-parallel benzene dimers
200268 citationsauthor #4
An Application of the Multicanonical Monte Carlo Method to the Bulk Water System
20020 citationsauthor #4
Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction.
2002864 citationsauthor #4
Screening at doped nanotube junctions beyond linear response
20029 citationsauthor #3
High Level ab Initio Calculations of Intermolecular Interaction of Propane Dimer: Orientation Dependence of Interaction Energy
200226 citationsauthor #3
Charge oscillation at doped nanotube junctions
20020 citationsauthor #3
Extended Ensemble Monte Carlo Method
20020 citationsauthor #1
Investigation of the Origin of the Topochemical Arrangement in Photoreactive 2-Benzyl-5-benzylidenecyclopentanone Crystal
20015 citationsauthor #4
Development of General Purpose Molecular Dynamics Simulator for Large Scaled System of Complex Materials
20010 citationsauthor #1
Effect of rigidity on the crystallization processes of short polymer melts.
200132 citationsauthor #3
Electronic and mechanical properties of C60-doped nanotubes
200127 citationsauthor #2
Replica-exchange Monte Carlo method for the isobaric isothermal ensemble
2001203 citationsauthor #4
Theoretical calculations of intermolecular interaction between two hydrogen molecules
20010 citationsauthor #3

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