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First-principles molecular dynamics simulations in a continuum solvent
Jean Luc Fattebert
, François Gygi
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Contribution to journal
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Article
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peer-review
129
Scopus citations
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Earth and Planetary Sciences
Dynamic Simulation
100%
Finite Difference Method
100%
Solvation
100%
Density Functional Theory
100%
Plane Wave
100%
Dielectric Material
100%
Mathematics
Density Functional
100%
Poisson Problem
100%
Finite Difference Method
100%
Computer Simulation
100%
Plane Wave
100%
Physics
Molecular Dynamics
100%
First Principle
100%
Finite Difference Method
33%
Solvation
33%
Dielectric Material
33%
Density Functional Theory
33%
Plane Wave
33%
Chemistry
First Principle
100%
Molecular Dynamics
100%
Density Functional Theory
33%
Solvation
33%
Solvent Effect
33%
Dielectric Function
33%
Plane Wave
33%
Material Science
Density
100%
First Principle Simulation
50%
Solvation
50%
Dielectric Material
50%
Finite Difference Method
50%