Optimal transport for generating transition states in chemical reactions – Gyuyoung Hwang
B232 Seminar Room, IBS 55 Expo-ro Yuseong-gu, Daejeon, Daejeon, Korea, Republic ofIn this talk, we discuss the paper "Optimal transport for generating transition states in chemical reactions" by C. Duan et.al., Nat. Machine. Intelligence, 2025. Abstract Transition states (TSs) are transient …