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Symposia


[TS] Theory & Simulation


Co-chairs:
Prof. Susumu OKAZAKI
Nagoya University (Japan)
okazaki_at_apchem.nagoya-u.ac.jp


Prof. Xiao Cheng ZHENG
University of Nebraska-Lincoln (USA)
xczeng_at_phase2.unl.edu
Invited Talks

Free-Energy Analysis of Nano-Organized Systems in Solution
Prof. Nobuyuki MATSUBAYASHI
Kyoto University (Japan)

Exploring Hydrophobicity at the Nanoscale
Prof. Peter ROSSKY
University of Texas at Austin (USA)

Phase Transitions in Interfaces
Prof. Ben WIDOM
Cornell University (USA)

Publication

A special issue (or section) is planned to publish contributed papers
in Molecular Simulation.
For details, go to Publication.

Program

Please click here to see poster program.

How to Read the Abstract Number

Chair: Yuko Okamoto
TS-3200-1100Molecular Dynamics Study of Lipid Bilayers Modeling Plasma Membranes of Murine Normal Thymocytes and Leukemic GRSL Cells
Y Andoh
TS-3200-1120Molecular Dynamics Study of Membrane Deformation - Effect of Lipid Composition and Additives
W. Shinoda
TS-3200-1140Properties of Carbon Dioxide in Salt Water: Implications for Carbon Storage
Richard Sadus
TS-3200-1200Non-Diagonal Coupling between d-Electron States within the Wills-Harrison Model
N.E. Dubinin
Chair: Xiao Cheng Zheng
TS-3200-1500SPhase Transitions in Interfaces
B. Widom
TS-3200-1540A Molecular Dynamics Study on Surface Tension of the Spherical Sodium Dodecyl Sulfate Micelle
M Kitabata
TS-3200-1600A Molecular Dynamics Study on the Homogeneous Bubble Nucleation in a Decompressed Cryogenic Fluid with a Noncondensable Gas
S Tsuda
Chair: Masuhiro Mikami
TS-3200-1640Wetting Behavior of a Drop Atop Holes
Tung-He Chou
TS-3200-1700Study on Self-Assembly Behaviors of Conjugated Block Copolymers in Selective Solvents Based on Dissipative Particle Dynamics
Y.-L. Lin
TS-3200-1720Cutoff Radius Effect of Isotropic Periodic Sum Method in Water Homogeneous/Heterogeneous System
T. Kazuaki
TS-3200-1740The Molecular Simulation of Cryogenic Hydrogen Using Classical Method
H Nagashima
Chair: Richard Sadus
TS-4200-1100SFree-Energy Analysis of Nano-Organized Systems in Solution
N Matubayasi
TS-4200-1140Study of the Contact-Angle Hysteresis on Pillared Surface by Molecular Dynamics Simulation
T Koishi
TS-4200-1200Symbolic Regression Based Exploration of New Functional Forms for Viscosity Data Correlations
C. D. Muzny
Chair: Akira Takada
TS-5200-1100An Elementary Physical Model for an Ideal Gas Transformation in Perfect Thermal Contact with Part of a Source of Finite Heat Capacity
Y. Carraux
TS-5200-1120Quasichemical Approach as a Powerful Tool to Study Supramolecular Organization and Macroscopic Equilibrium and Non-equilibrium Properties of Non-ideal Liquid Systems: Recent Results and Applications
V.A. Durov
TS-5200-1140Thermodynamic Scaling: From Viscosities to Diffusion Coefficients
J. Fernandez
TS-5200-1200Perturbation Theory for the Long Range Square-Well Fluid
L.A. Galicia-Luna
Chair: Nobuyuki Matubayasi
TS-5200-1500SExploring Hydrophobicity at the Nanoscale
P Rossky
TS-5200-1540Residual Entropy of Ordinary Ice Calculated from Multicanonical Monte Carlo Simulations
Y. Okamoto
TS-5200-1600Phase Transitions of Lennard-Jones Fluid Confined in Slit Pores
T. Kaneko
TS-5200-1620Free Energy of Transfer of Alkanes from Water to the Micelle Core by Thermodynamic Integration Method Combined with Molecular Dynamics Calculation
K Fujimoto
TS-5200-1640Statistical and calorimetric entropies based on computer simulation
Akira Takada
Chair: Vladimir Durov
TS-6200-1040An Evaluation of Thermal Properties of Hydrogen/Oxygen Systems on the Basis of ab Initio Calculations for Their Inter-molecular Interactions
S Tsuda
TS-6200-1100Size Dependence of the Phase Transition Order Studied in the Potts Model
J. Johansson
TS-6200-1120Thermodynamic Cycles involving at least one Source or Sink with Finite Heat Capacity
Y. Carraux
TS-6200-1140Analyses of Coarse Graining Procedure for Mesoscale Simulation
S Hyodo
TS-6200-1200A Molecular Dynamics Study of Free Energy Surface of Conformational Changes in cis-Enol Form of Malonaldehyde in Water Solution
H. Kojima