2 papers
cs.LG2024
Waveflow: boundary-conditioned normalizing flows applied to fermionic wavefunctions
Luca Thiede, Chong Sun, Alán Aspuru-Guzik
An efficient and expressive wavefunction ansatz is key to scalable solutions for complex many-body electronic structures. While Slater determinants are predominantly used for const…
cs.LG2024
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
Austin Cheng, Cher Tian Ser, Marta Skreta +8
Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it i…