Heat transport in liquid water from first-principles and deep neural network simulations

Engineering & Materials Science

• Potential energy surfaces 100%
• Density functional theory 89%
• Deep neural networks 73%
• Liquids 50%
• Water 40%
• Thermal conductivity 40%
• Fluxes 36%
• Hot Temperature 36%
• Ground state 22%
• Molecular dynamics 16%
• Invariance 15%
• Gages 14%
• Decomposition 10%
• Computer simulation 8%
• Experiments 5%

Physics & Astronomy

• potential energy 51%
• heat 49%
• density functional theory 46%
• water 42%
• liquids 39%
• thermal conductivity 35%
• simulation 28%
• gauge invariance 18%
• functionals 14%
• energy 13%
• decomposition 11%
• molecular dynamics 10%
• deviation 10%
• formulations 10%
• ground state 9%
• conductivity 9%
• approximation 7%
• electronics 7%

Chemical Compounds

• Potential Energy Surface 71%
• Heat 55%
• Thermal Conductivity 53%
• Simulation 47%
• Density Functional Theory 46%
• Energy 26%
• Ground State 14%
• Error 14%
• Molecular Dynamics 13%
• Conductivity 12%
• Decomposition 12%
• Reaction Yield 7%