[[C]C302-3am1] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

9:30 AM - 9:40 AM JST(12:30 AM - 12:40 AM UTC)Japanese

[[C]C302-3am1-04] Accurate Prediction of Assembled Structures of Organic Semiconductors Using Machine Learning and Molecular Simulation

○Takuya Seki¹, Yudai Shinozaki¹, Shunsuke Sato¹, Ryosuke Ito¹, Jun Takeya^2,3,4, Toshihiro Okamoto^4,5, Go Watanabe^1,4,6,7 (1. Grad. Sch. of Sci., Kitasato Univ. , 2. Grad. Sch. of Front. Sci., Univ. of Tokyo, 3. NIMS, 4. JST CREST, 5. Sch. of Mater. and Chem. Tech., Science Tokyo, 6. Sch. of Front. Eng., Kitasato Univ., 7. KISTEC)

Keywords:

Crystal Structure Prediction,Machine Learning,Molecular Dynamics,Organic Semiconductor