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698 积分 2024-03-04 加入
Automated free-energy calculation from atomistic simulations
15小时前
已完结
Automated free-energy calculation from atomistic simulations
2天前
已完结
Machine learning metadynamics simulation of reconstructive phase transition
8天前
已完结
Melting curves of ice polymorphs in the vicinity of the liquid–liquid critical point
8天前
已完结
Phase behaviours of superionic water at planetary conditions
8天前
已完结
Designing Temperature-Insensitive Solvated Electrolytes for Low-Temperature Lithium Metal Batteries
26天前
已完结
How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
29天前
已完结
Performance of the r2SCAN Functional in Transition Metal Oxides
29天前
已完结
Quantifying the Structure of Water and Hydrated Monovalent Ions by Density Functional Theory-Based Molecular Dynamics
1个月前
已完结
Dispersion corrected RPBE studies of liquid water
1个月前
已完结
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