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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.
2011
2011
Stability range for a flat graphene sheet subjected to in-plane deformation
The effects of the elastic deformation on the mechanical and physical properties of graphene are a subject of intensive current… 
2008
2008
A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
2007
2007
Crystal structures and thermal expansion of α-MgSO4 and β-MgSO4 from 4.2 to 300 K by neutron powder diffraction
Detailed neutron powder diffraction measurements have been carried out on two polymorphs of anhydrous magnesium sulfate, alpha… 
2005
2005
Computational materials science meets geophysics: dislocations and slip planes of MgO
Highly Cited
2004
Highly Cited
2004
Defect nucleation in carbon nanotubes under tension and torsion: Stone–Wales transformation
2003
2003
Comparative study of Si(001) surface structure and interatomic potentials in finite-temperature simulations
We have performed a comparative study of three widely used classical many-body potentials for silicon (Stillinger-Weber, Tersoff… 
2001
2001
Four-Reference State-Specific Brillouin-Wigner Coupled-Cluster Method: Study of the IBr Molecule
We implemented the state-specific Brillouin–Wigner coupled-cluster method for the complete model space spanned by four reference… 
Highly Cited
1998
Highly Cited
1998
A symbiotic algorithm for finding the lowest energy isomers of large clusters and molecules
Highly Cited
1982
Highly Cited
1982
Multiproperty empirical interatomic potentials for ArXe and KrXe
Crossed molecular beam measurements of elastic differential cross sections (DCS) for the scattering of Ar and Kr by Xe are… 
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… 
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