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

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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Bibliographic Details
Main Author: Anthony Val C. Camposano (20589131) (author)
Other Authors: Even Marius Nordhagen (20589134) (author), Henrik Andersen Sveinsson (8585883) (author), Anders Malthe-So̷renssen (20589137) (author)
Published: 2025
Subjects:
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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