3 papers
stat.AP2025
Synergizing chemical and AI communities for advancing laboratories of the future
Saejin Oh, Xinyi Fang, I-Hsin Lin +6
The development of automated experimental facilities and the digitization of experimental data have introduced numerous opportunities to radically advance chemical laboratories. As…
cond-mat.soft2025
Fast phase prediction of charged polymer blends by white-box machine learning surrogates
Clayton Ellis, Xinyi Fang, Christopher Balzer +4
Compatibilized polymer blends are a complex, yet versatile and widespread category of material. When the components of a binary blend are immiscible, they are typically driven towa…
physics.chem-ph2025
Neural Operators for Forward and Inverse Potential-Density Mappings in Classical Density Functional Theory
Runtong Pan, Xinyi Fang, Kamyar Azizzadenesheli +3
Neural operators are capable of capturing nonlinear mappings between infinite-dimensional functional spaces, offering a data-driven approach to modeling complex functional relation…