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24 积分 2026-03-05 加入
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
17天前
已完结
Performance and Cost Assessment of Machine Learning Interatomic Potentials
17天前
已完结
Prediction of thermal conductivity in multi-component magnesium alloys based on machine learning and multiscale computation
17天前
已完结
Use of DFT+U+J with linear response parameters to predict non-magnetic oxide band gaps with hybrid-functional accuracy
17天前
已完结
Study on the Strengthening Mechanism of Rare Earth Ce in Magnesium Alloys, Based on First-Principle Calculations and Electronegativity Theory
18天前
已完结
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
18天前
已完结
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
18天前
已完结
Hybrid functionals applied to rare-earth oxides: The example of ceria
21天前
已完结
Thermal conductivity decomposition and analysis using molecular dynamics simulations. Part I. Lennard-Jones argon
1个月前
已完结
A review on thermal conductivity of magnesium and its alloys
1个月前
已完结
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