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100 积分 2023-09-10 加入
SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System
2天前
已完结
X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-ZrF4
2个月前
已完结
Deep Learning Prediction of Molten Salts Properties: Combining Graph Convolutional Networks and Transfer Learning
2个月前
已关闭
Palladium-Catalyzed Electro-oxidative C–H Amination toward the Synthesis of Pyrido[1,2-a]benzimidazoles with Hydrogen Evolution
11个月前
已完结
Development of Range-Corrected Deep Learning Potentials for Fast, Accurate Quantum Mechanical/Molecular Mechanical Simulations of Chemical Reactions in Solution
1年前
已完结
Modeling Chemical Reactions in Alkali Carbonate–Hydroxide Electrolytes with Deep Learning Potentials
1年前
已完结
Theoretical prediction on the local structure and transport properties of molten alkali chlorides by deep potentials
1年前
已完结
Molecular dynamics simulations of CaCl2–NaCl molten salt based on the machine learning potentials
1年前
已完结
Composition-transferable machine learning potential for LiCl-KCl molten salts validated by high-energy x-ray diffraction
1年前
已完结
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