2 papers
cond-mat.mtrl-sci2026
Breaking Bottlenecks in Solid Electrolyte Discovery with Large Artificial Intelligence Models
Eric Jianfeng Cheng, Min Hong, Zhiquan Zeng +22
Solid electrolytes (SEs) are central to next-generation metal batteries, yet their discovery remains constrained by fragmented data, limited transferability of simulations, and slo…
cond-mat.mtrl-sci2024
Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials
Juno Nam, Jiayu Peng, Rafael Gómez-Bombarelli
Machine learning interatomic potentials (MLIPs) have become a workhorse of modern atomistic simulations, and recently published universal MLIPs, pre-trained on large datasets, have…