CMSI 研究ハイライト
"Superconductivity and its mechanism in an ab initio model for electron-doped LaFeAsO"
T.Misawa and M.Imada,Nature Commun 5,5738 (2014)
"Million-atom molecular dynamics simulation on spontaneous evolution of anisotropy in solid nucleus during solidification of iron"
Y. Shibuta, et al., Scripta Mater. 86, 20 (2014)
"Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene"
C.-C. Lee, A. Fleurence, R. Friedlein, Y. Yamada-Takamura, and T. Ozaki, Phys. Rev. B 90, 241402(R) (2014)
"Molecular dynamics study of changes in physicochemical properties of DMPC lipid bilayers by addition of nonionic surfactant C12E10"
Y.Andoh, S.Muraoka,S. Okazaki, Mol.Siml., in press (2014)
"Anomalous Behavior of the Magnetization Process of the S = 1/2 Kagome-LatticeHeisenberg Antiferromagnet at One-Third Height of the Saturation"
Hiroki Nakano and Toru Sakai, J. Phys. Soc. Jpn. 83, 104710 (2014)
"A Novel Approach of Dynamic Cross Correlation Analysis on Molecular Dynamics Simulations and Its Application to Ets1 Dimer-DNA Complex"
Kota Kasahara, Ikuo Fukuda, Haruki Nakamura, PLoS ONE 9(11):e112419
"First-Principles Study of Carrier-Induced Ferromagnetism in Bilayer and Multilayer Zigzag Graphene"
K. Sawada, F. Ishii, M.Saito, Appl. Phys.Lett. 104, 143111 (2014)
"All-Atom Molecular Dynamics Calculation Study of Entire Poliovirus Empty Capsids in Solution"
Y. Andoh, et al., J. Chem. Phys. 141, 165101 (2014)
"ERmod: Fast and Versatile Computation Software for Solvation Free Energy with Approximate Theory of Solutions"
S. Sakuraba and N. Matubayasi, J. Comput. Chem. 35, 1592-1608 (2014)
"First-Principles Study of the Honeycomb-Lattice Iridates Na2IrO3 in the Presence of Strong Spin-Orbit Interaction and Electron Correlations"
Y. Yamaji, Y. Nomura, M. Kurita,R. Arita, and M. Imada, Phys. Rev. Lett. 113, 107201 (2014)
"Two-dimensional phase-field simulations of dendrite competitive growth during the directional solidification of a binary alloy bicrystal"
T. Takaki, M. Ohno, T. Shimokawabe, T. Aoki, Acta Mater. 81, 272 (2014)
"Strain effects on the magnetic anisotropy of Y2Fe14B"
Z. Torbatian,T. Ozaki, S. Tsuneyuki, Y. Gohda, Appl. Phys. Lett. 104, 242403 (2014)
" Probing Methane Hydrate Nucleation through the Forward Flux Sampling Method. "
Yuanfei Bi and Tianshu Li, J. Phys. Chem. B, 2014, 118 (47)
"Coupling of Lever Arm Swing and Biased Brownian Motion in Actomyosin"
Q.-M. Nie, A. Togashi, T. N. Sasaki, M. Takano, M. Sasai, and T. P. Terada, PLOS Comput. Biol. 10, e1003552 (2014)
"Massively Parallel Implementation of 3D-RISM Calculation with Volumetric 3D-FFT"
Y. Maruyama, et al., J. Comput. Chem., 35, 1347 (2014)
"Parallelized Quantum Monte Carlo Algorithm with Nonlocal Worm Updates"
A. Masaki-Kato, et al., Phys. Rev. Lett. 112, 140603 (2014)
