Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning Models.

Name: Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning Models.
Author: Zhang, Pan

Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning Models. — المؤلف: Zhang, Pan — The journal of physical chemistry. B 20200522

المؤلف: Zhang, Pan
النشر: The journal of physical chemistry. B 20200522
الوصف: 901-908 p.
الموضوعات: Machine Learning؛ Molecular Dynamics Simulation؛ Quantum Theory؛ Solvents؛ Thermodynamics