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cond-mat.mtrl-sci2024★ 13 cited
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning
Bowen Deng, Yunyeong Choi, Peichen Zhong +6
Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have seen the emergence of universal MLIPs (uMLIPs) that…
cond-mat.mtrl-sci2024★ 28 cited
Effect of cation-disorder on lithium transport in halide superionic conductors
Peichen Zhong, Sunny Gupta, Bowen Deng +2
LiZrCl (LZC) is a promising solid-state electrolyte due to its affordability, moisture stability, and high ionic conductivity. We computationally investigate the role of ca…