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90 积分
2023-09-10 加入
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Deep Learning Prediction of Molten Salts Properties: Combining Graph Convolutional Networks and Transfer Learning
18小时前
求助中
Palladium-Catalyzed Electro-oxidative C–H Amination toward the Synthesis of Pyrido[1,2-a]benzimidazoles with Hydrogen Evolution
8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
10个月前
已完结
Modeling Chemical Reactions in Alkali Carbonate–Hydroxide Electrolytes with Deep Learning Potentials
10个月前
已完结
Machine-Learning-Driven Simulations on Microstructure, Thermodynamic Properties, and Transport Properties of LiCI-KCI-LiF Molten Salt
10个月前
已关闭
Theoretical prediction on the local structure and transport properties of molten alkali chlorides by deep potentials
11个月前
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
Actinide Molten Salts: A Machine-Learning Potential Molecular Dynamics Study
1年前
已完结
Insights into the effects of fluoride anions on the electrochemical behavior and solution structure of trivalent samarium in LiCl-KCl molten salt
1年前
已完结
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