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Interatomic potential

Known as: Interatomic potentials 
Interatomic potentials are mathematical functions for calculating the potential energy of a system of atoms with given positions in space… 
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Related topics

Related topics

16 relations
ApproximationBond order potentialBuckingham potentialDensity functional theory

Broader (1)

Computational physics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2009
2009
Multiscale material modeling and its application to a dynamic crack propagation problem
2008
2008
A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
2007
2007
Complete maps of molecular‐loop conformational spaces
This paper presents a numerical method to compute all possible conformations of distance‐constrained molecular loops, i.e., loops… 
2005
2005
Computational materials science meets geophysics: dislocations and slip planes of MgO
2005
2005
Near-surface lattice instability in 2D fiber and half-space
2005
2005
Medicinal Chemistry and Molecular Modeling: An Integration To Teach Drug Structure-Activity Relationship and the Molecular Basis of Drug Action
Molecular modeling is described as a tool for understanding fundamental concepts of drug structure–activity relationships in a… 
Highly Cited
2004
Highly Cited
2004
Defect nucleation in carbon nanotubes under tension and torsion: Stone–Wales transformation
1973
1973
Interpreting electron micrographs of amorphous solids
Using the diffraction theory of random wavefunctions, it is argued that recent interference electron microscopy of thin amorphous… 
Highly Cited
1971
Highly Cited
1971
SEMICLASSICAL NATURE OF ATOMIC AND MOLECULAR COLLISIONS.
The dynamical features of atomic and molecular collisions (including quantum effects) can be accurately described by classical… 
Highly Cited
1971
Highly Cited
1971
LATTICE DISTORTION NEAR VACANCIES IN DIAMOND AND SILICON .1.
A dynamical relaxation procedure, coupled with a valence force potential, has been used to calculate the distortion around point… 
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