How van der Waals interactions determine the unique properties of water
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Extracting Crystal Chemistry from Amorphous Carbon StructuresANI-1: an extensible neural network potential with DFT accuracy at force field computational cost.First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems.Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?Perspective: Machine learning potentials for atomistic simulations.Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations.Neural network molecular dynamics simulations of solid-liquid interfaces: water at low-index copper surfaces.Mass density fluctuations in quantum and classical descriptions of liquid water.A neural-network potential through charge equilibration for WS2: From clusters to sheets.High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium.Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation.ForConX: A forcefield conversion tool based on XML.Perspectives on the Future of Ice Nucleation Research: Research Needs and Unanswered Questions Identified from Two International WorkshopsHigh order path integrals made easyAnalysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N on Ru(0001)
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P2860
How van der Waals interactions determine the unique properties of water
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2016 nî lūn-bûn
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2016 թուականի Յուլիսին հրատարակուած գիտական յօդուած
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2016年の論文
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2016年学术文章
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2016年学术文章
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How van der Waals interactions determine the unique properties of water
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How van der Waals interactions determine the unique properties of water
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How van der Waals interactions determine the unique properties of water
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How van der Waals interactions determine the unique properties of water
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How van der Waals interactions determine the unique properties of water
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How van der Waals interactions determine the unique properties of water
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P2860
P356
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How van der Waals interactions determine the unique properties of water
@en
P2093
Andreas Singraber
Tobias Morawietz
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P304
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10.1073/PNAS.1602375113
P407
P577
2016-07-08T00:00:00Z
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P818
1606.07775