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cond-mat.mtrl-sci2026
Strain-Dependent Ionic Transport in Li3YCl6 Solid Electrolytes
Wei-Fan Huang, Jin Dai, Jiahui Pan +1
Solid-state batteries require electrolytes that sustain high ionic conductivity under the mechanical environment of a functioning cell. Lattice strain, arising from stack pressure,…
cond-mat.mtrl-sci2025
Cartesian atomic moment machine learning interatomic potentials
Mingjian Wen, Wei-Fan Huang, Jin Dai +1
Machine learning interatomic potentials (MLIPs) have substantially advanced atomistic simulations in materials science and chemistry by balancing accuracy and computational efficie…
cond-mat.mtrl-sci2024
Uncertainty Quantification and Propagation in Atomistic Machine Learning
Jin Dai, Santosh Adhikari, Mingjian Wen
Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models e…