Lv2
108 积分 2023-09-11 加入
Computational design of energy‐related materials: From first‐principles calculations to machine learning
26天前
已完结
Ab Initio Simulation of Liquid Water without Artificial High Temperature
26天前
已完结
The Dynamic Diversity and Invariance of Ab Initio Water
26天前
已完结
Elemental augmentation of machine learning interatomic potentials
26天前
已完结
De Novo Inverse Design Superhard C–N Compounds via Global Machine Learning Interatomic Potentials and Multiobjective Optimization Algorithm
26天前
已完结
Machine-Learning Potential Molecular Dynamics Reveals the Critical Role of Flexibility in Solid–Liquid Nanofluidic Friction
26天前
已完结
Stability of c-BAs under extreme conditions: An ab initio molecular dynamics study
4个月前
已完结
Ab initio molecular dynamics study on the thermal stability of Na8 microcluster
4个月前
已完结
Thermal expansion, heat capacity and Grüneisen parameter of iridium phosphide Ir 2 P from quasi-harmonic Debye model
4个月前
已完结
Phase Diagram and High-Pressure Characteristics of Pyrocarbonates Src2o5
4个月前
已完结
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