Duan, Yifei
3 publications
NeurIPSW
2024
A Chemically-Guided Generative Diffusion Model for Materials Synthesis Planning
Elton Pan, Soonhyoung Kwon, Sulin Liu, Mingrou Xie, Yifei Duan, Thorben Prein, Killian Sheriff, Yuriy Roman, Manuel Moliner, Rafael Gomez-Bombarelli, Elsa Olivetti NeurIPSW
2024
Reaction Graph Networks for Inorganic Synthesis Condition Prediction of Solid State Materials
Thorben Prein, Fuzhan Rahmanian, Kesava Prasad Arul, Jasmin El-Wafi, Menelaos Panagiotis Fotiadis, Jan Heimann, Paul Weinmann, Yifei Duan, Elton Pan, Elsa Olivetti, Jennifer L.M. Rupp