Genetic Algorithm Workflow for Parameterization of a Water Model Using the Vashishta Force Field

Water participates in countless processes on Earth, and the properties of mineral surfaces can be drastically changed in the presence of water. For example, the fracture toughness of silica glass is reduced by 25% for water-filled cracks than for dry cracks [<i>Geophys. Res.: Solid Earth</i...

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التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Anthony Val C. Camposano (20589131) (author)
مؤلفون آخرون:	Even Marius Nordhagen (20589134) (author), Henrik Andersen Sveinsson (8585883) (author), Anders Malthe-So̷renssen (20589137) (author)
منشور في:	2025
الموضوعات:	Biophysics Ecology Inorganic Chemistry Computational Biology Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified vashishta form opens obtain good agreement genetic algorithm workflow water potential using water model using water may play point water model many water models molecular dynamics simulations dry cracks [< modeling dynamic processes solid earth </ molecular scale filled cracks countless processes 41 </ 123 </ thus enabling therefore essential silica glass mineral surfaces mechanical response important role experimental transport drastically changed developed previously describing reactions aqueous environments accurate description
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Genetic Algorithm Workflow for Parameterization of a Water Model Using the Vashishta Force Field

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