三上益弘 (Masuhiro Mikami) - マイポータル

基本情報

所属: 独立行政法人産業技術総合研究所ナノシステム研究部門ダイナミックプロセスシミュレーショングループ

J-GLOBAL ID: 200901042479515541
researchmap会員ID: 0000044630

外部リンク: http://www.aist.go.jp/RESEARCHERDB/cgi-bin/worker_detail.cgi?call=namae&rw_id=M12917638

研究キーワード

計算科学分子動力学法モンテカルロ法分子間相互作用密度汎関数法

研究分野

MISC

Molecular dynamics simulations of self-organized polyicosahedral Si nanowire

Kengo Nishio, Tetsuya Morishita, Wataru Shinoda, Masuhiro Mikami

JOURNAL OF CHEMICAL PHYSICS 125(7) 074712-1-074712-4 2006年8月
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

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF CHEMICAL PHYSICS 124(11) 114304-1-114304-7 2006年3月
Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction

S Tsuzuki, T Uchimaru, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY A 110(5) 2027-2033 2006年2月
Molecular dynamics simulation of icosahedral Si quantum dot formation from liquid droplets

K Nishio, T Morishita, W Shinoda, M Mikami

PHYSICAL REVIEW B 72(24) 245321-1-4 2005年12月
Molecular dynamics study of bipolar tetraether lipid membranes

W Shinoda, K Shinoda, T Baba, M Mikami

BIOPHYSICAL JOURNAL 89(5) 3195-3202 2005年11月
Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol

S Urata, J Irisawa, A Takada, S Tsuzuki, W Shinoda, M Mikami

JOURNAL OF FLUORINE CHEMISTRY 126(9-10) 1312-1320 2005年10月
Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers

S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY B 109(36) 17274-17280 2005年9月
Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF CHEMICAL PHYSICS 122(14) 144323-1-144323-8 2005年4月
Molecular dynamics simulation of swollen membrane of perfluorinated ionomer

S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY B 109(9) 4269-4278 2005年3月
Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: Comparison with propane dimer

S Tsuzuki, T Uchimaru, M Mikami, S Urata

JOURNAL OF CHEMICAL PHYSICS 121(20) 9917-9924 2004年11月
Magnitude of interaction between n-alkane chains and its anisotropy: High-level ab initio calculations of n-butane, n-petane, and n-hexane dimers

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF PHYSICAL CHEMISTRY A 108(46) 10311-10316 2004年11月
Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers

K Shinoda, W Shinoda, T Baba, M Mikami

JOURNAL OF CHEMICAL PHYSICS 121(19) 9648-9654 2004年11月
Intermolecular interaction between the pendant chain of perfluorinated ionomer and water

S Urata, J Irisawa, A Takada, S Tsuzuki, W Shinoda, M Mikami

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 6(13) 3325-3332 2004年7月
Molecular dynamics study on the effects of chain branching on the physical properties of lipid bilayers: 2. Permeability

W Shinoda, M Mikami, T Baba, M Hato

JOURNAL OF PHYSICAL CHEMISTRY B 108(26) 9346-9356 2004年7月
Two-dimensional self-assembled structures of adenine molecules: modeling and simulation

K Shinoda, W Shinoda, CC Liew, S Tsuzuki, Y Morikawa, M Mikami

SURFACE SCIENCE 556(2-3) 109-120 2004年5月
Dynamics of a highly branched lipid bilayer: a molecular dynamics study

W Shinoda, M Mikami, T Baba, M Hato

CHEMICAL PHYSICS LETTERS 390(1-3) 35-40 2004年5月
New approach to the first-order phase transition of Lennard-Jones fluids

C Muguruma, Y Okamoto, M Mikami

JOURNAL OF CHEMICAL PHYSICS 120(16) 7557-7563 2004年4月
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress

W Shinoda, M Shiga, M Mikami

PHYSICAL REVIEW B 69(13) 134103-1-8 2004年4月
Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

S Urata, S Tsuzuki, A Takada, M Mikami, T Uchimaru, A Sekiya

JOURNAL OF COMPUTATIONAL CHEMISTRY 25(3) 447-459 2004年2月
High-level ab initio computations of structures and interaction energies of naphthalene dimers: Origin of attraction and its directionality

S Tsuzuki, K Honda, T Uchimaru, M Mikami

JOURNAL OF CHEMICAL PHYSICS 120(2) 647-659 2004年1月

もっとみる

所属学協会

共同研究・競争的資金等の研究課題

1. 分子シミュレーション技術の研究開発 2. ナノ構造体構築シミュレーション技術の研究開発 3. 化学反応設計のためのシミュレーション技術の研究開発 4. 分子シミュレーションによる有機・無機物質の構造と物性の研究