+FY 2010

2011/03/03 The 18th., Lab Seminar
Yuichi Suzuki
"A computational investigation of the properties of a reverse osmosis membrane"

2011/02/10 The 17th., Lab Seminar
Yukichi Kitamura
"An effective fragment method for modeling solvent effects in quantum mechanical calculations"

2011/01/27 The 16th., Lab Seminar
Takayuki Sugiyama
"テトラヒドロフラン溶媒中におけるメチルリチウム会合状態の自由エネルギー的安定性"

2011/01/20 The 15th., Lab Seminar
Norio Takenaka
"Toward a Practical Method for Adaptive QM/MM Simulations"

2011/01/13 The 14th., Lab Seminar
Satoru Iuchi
"スピン転移過程の理論的取り扱いについて"

2010/12/06 The 13th., Lab Seminar
Yusuke Ohta
"First-Principles Molecular Dynamics Evaluation of Thermal Effects on the NMR J Spin-Spin Coupling"

2010/11/18 The 12th., Lab Seminar
Masayoshi Takayanagi
"Nonequilibrium Molecular Dynamics Simulation of the Energy Transport Through A Peptide Helix"

2010/11/04 The 11th., Lab Seminar
Yoshiyuki Koyano
"Microhydration effects on a model SN2 reaction in a nonpolar solvent"

2010/10/14 The 10th., Lab Seminar
Takuya Okamoto
"Multidimensional Langevin Modeling of Biomolecular Dynamics"

2010/08/09 The 9th., Lab Seminar
Shogo Hirao
"Breathing Motions of a Respiratory Protein Revealed by Molecular Dynamics Simulations"

2010/07/29 The 8th., Lab Seminar
Yuichi Suzuki
"Molecular Dynamics Study of a Polymeric Reverse Osmosis Membrane Surface"

2010/07/22 The 7th., Lab Seminar
Yukichi Kitamura
"Transition state determination of enzyme reation on free energy surface: Application to chorismate mutase"

2010/07/08 The 6th., Lab Seminar
Takayuki Sugiyama
"Structure of Mixed Alkyllithium/Lithium Alkoxide Aggregates in Ethereal Solvents. Insights from Combined QM/MM Molecular Dynamics Simulations"

2010/07/01 The 5th., Lab Seminar
Norio Takenaka
"Transition path sampling of cavitation between molecule scale solvophobic surfaces"

2010/06/24 The 4th., Lab Seminar
Yusuke Ohta
"Combined Ab Initio and Classical Molecular Dynamics Simulations of Alkyl-Lithium Aggregates in Ethereal Solutions"

2010/06/17 The 3rd., Lab Seminar
Takayanagi Masayoshi
"Protein Collective Motions Coupled to Ligand Migration in Myoglobin"

2010/06/03 The 2nd., Lab Seminar
Yoshiyuki Koyano
"Designing Carbon Nanotube Membranes for Efficient Water Desalination"

2010/05/20 The 1st., Lab Seminar
Takuya Okamoto
"Viscoelastic Registration of Medical Images"