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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.
2013
2013
Aluminium distribution in ZSM-5 revisited: The role of Al–Al interactions
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… 
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
Highly Cited
2004
Highly Cited
2004
Defect nucleation in carbon nanotubes under tension and torsion: Stone–Wales transformation
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… 
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… 
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