Lv41
440 积分 2022-12-19 加入
Fingerprinting intermolecular interactions in molecular crystals
3小时前
已完结
New Insights into Thermal Transport in ε-CL-20 Revealed by Machine-Learned Potentials and Mode-Projection Analysis
15天前
已完结
Molecular perovskite high-energetic materials
20天前
已完结
MolCrysKit: A Topology-Aware Toolkit for Bridging Experimental Molecular-Crystal Structures and Simulation-Ready Modeling
21天前
已完结
Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction
21天前
已完结
MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation
1个月前
已完结
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
1个月前
已完结
CrystalX: High-accuracy Crystal Structure Analysis Using Deep Learning
1个月前
已完结
XtalOpt version 14: Variable-composition crystal structure search for functional materials through Pareto optimization
1个月前
已完结
Machine Learning Potential-Enabled Platform for the In Silico Design of Functional Organic Molecular Crystals
2个月前
已完结
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