[A1456-2am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

9:40 AM - 9:50 AM JST(12:40 AM - 12:50 AM UTC)Japanese

[A1456-2am-01] Development of an Integrated Workflow for Predicting Crystal Structures and Structural Phase Transitions

○Takuya Taniguchi Taniguchi¹, Ryo Fukasawa¹ (1. Waseda Univ.)

Keywords:

Crystal Structure Prediction,Structural Phase Transition,Gibbs Free Energy,Neural Network Potential,Organic Molecule