The 105th CSJ Annual Meeting
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Academic Program [Oral B]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry : Oral B

[[C]C302-3am2]02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 28, 2025 10:00 AM - 11:20 AM JST
Fri. Mar 28, 2025 1:00 AM - 2:20 AM UTC
[C]C302(C302, Bldg. 2, Area 2 [3F])
10:00 AM - 10:20 AM JST(1:00 AM - 1:20 AM UTC)Japanese

[[C]C302-3am2-01]Reaction pathway search on two-dimensional model potential by deep reinforcement learning

○Takechika Kikkawa1, Shusuke Yamanaka1, Takashi Kawakami1, Mitsutaka Okumura1 (1. Osaka University)
10:20 AM - 10:40 AM JST(1:20 AM - 1:40 AM UTC)Japanese

[[C]C302-3am2-02]Insights into the acquisition of chemical knowledge using deep learning

○Teruhisa Sadakane1, Daisuke Yokogawa1 (1. The Univ. of Tokyo)
10:40 AM - 11:00 AM JST(1:40 AM - 2:00 AM UTC)Japanese

[[C]C302-3am2-03]Exploration of Novel Polar Oxides Using Machine Learning and First-Principles Calculations

○Tomoya Gake1, Daisuke Hirai1, Sakyo Hirose1 (1. Murata Manufacturing Co., Ltd.)
11:00 AM - 11:20 AM JST(2:00 AM - 2:20 AM UTC)Japanese

[[C]C302-3am2-04]Development of General Formulation for Biasing Particle Insertion/Deletion in Grand Canonical Monte Carlo Method and Application to Machine Learning Potentials

○Tatsushi Ikeda1, Tomoya Kanno1, Akira Nakayama1 (1. The University of Tokyo)
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