[[C]C302-2pm1] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry | The 105th CSJ Annual Meeting

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Academic Program [Oral A]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry : Oral A

[[C]C302-2pm1]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Thu. Mar 27, 2025 1:00 PM - 1:50 PM JST
Thu. Mar 27, 2025 4:00 AM - 4:50 AM UTC

[C]C302(C302, Bldg. 2, Area 2 [3F])

1:00 PM - 1:10 PM JST(4:00 AM - 4:10 AM UTC)Japanese

[[C]C302-2pm1-01]Free-energy analysis of Trp-cage in Ionic Liquids with all-atom MD simulation

○Mototakashi Chin¹, Ryuji Osaka¹, Kento Kasahara¹, Nobuyuki Matubayasi¹ (1. Osaka University)

1:10 PM - 1:20 PM JST(4:10 AM - 4:20 AM UTC)Japanese

[[C]C302-2pm1-02]Accurate computational method for configurational entropy via solvation free energy calculation

○Ryoma Kaji¹, Stefan Hervø-Hansen¹, Nobuyuki Matubayasi¹ (1. Graduate School of Engineering Science, Osaka University)

1:20 PM - 1:30 PM JST(4:20 AM - 4:30 AM UTC)Japanese

[[C]C302-2pm1-03]Development of Free Energy Calculation Method Using Nanoreactor Molecular Dynamics and Jarzynski’s Equality

○Sei Tsukamura¹, Yoshifumi Nishimura², Hiromi Nakai^1,2 (1. School of Advanced Science and Engineering, Waseda University, 2. Research Institute for Science and Engineering, Waseda University)

1:30 PM - 1:40 PM JST(4:30 AM - 4:40 AM UTC)Japanese

[[C]C302-2pm1-04]Development of a Product Viscosity Prediction Model in a Polyvinyl Alcohol Production Plant

○Ryota Nomura¹, Yoshihito Yamauchi², Hiroto Misawa², Kosuke Nishigaya², Satoshi Ooyama², Hiromasa Kaneko¹ (1. Meiji University, 2. Mitsubishi Chemical Corporation)

1:40 PM - 1:50 PM JST(4:40 AM - 4:50 AM UTC)Japanese

[[C]C302-2pm1-05]All-Atom MD Analysis of Glycine Crystal Growth Control Using Additives

○Takuma Matsuda¹, Kento Kasahara¹, Nobuyuki Matubayasi¹ (1. Osaka Univ)

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