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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
Approximation
Bond order potential
Buckingham potential
Density functional theory
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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
James D. Lee
,
Xianqiao Wang
,
Youping Chen
2009
Corpus ID: 51860813
2008
2008
A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
Geng Yun
,
Harold S. Park
2008
Corpus ID: 43910537
2007
2007
Complete maps of molecular‐loop conformational spaces
J. M. Porta
,
L. Ros
,
F. Thomas
,
F. Corcho
,
J. Cantó
,
J. J. Pérez
Journal of Computational Chemistry
2007
Corpus ID: 44291830
This paper presents a numerical method to compute all possible conformations of distance‐constrained molecular loops, i.e., loops…
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2005
2005
Computational materials science meets geophysics: dislocations and slip planes of MgO
C. R. Miranda
,
S. Scandolo
Computer Physics Communications
2005
Corpus ID: 43048366
2005
2005
Near-surface lattice instability in 2D fiber and half-space
S. Dmitriev
,
T. Kitamura
,
Ju Li
,
Y. Umeno
,
K. Yashiro
,
N. Yoshikawa
2005
Corpus ID: 16416917
2005
2005
Medicinal Chemistry and Molecular Modeling: An Integration To Teach Drug Structure-Activity Relationship and the Molecular Basis of Drug Action
I. Carvalho
,
Áurea Donizete Lanchote Borges
,
Lilian S C Bernardes
2005
Corpus ID: 16327956
Molecular modeling is described as a tool for understanding fundamental concepts of drug structure–activity relationships in a…
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Highly Cited
2004
Highly Cited
2004
Defect nucleation in carbon nanotubes under tension and torsion: Stone–Wales transformation
Hanqing Jiang
,
Xi-Qiao Feng
,
Yonggang Huang
,
K. Hwang
,
Peidong Wu
2004
Corpus ID: 55401708
1973
1973
Interpreting electron micrographs of amorphous solids
M. Berry
,
P. A. Doyle
1973
Corpus ID: 122344598
Using the diffraction theory of random wavefunctions, it is argued that recent interference electron microscopy of thin amorphous…
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Highly Cited
1971
Highly Cited
1971
SEMICLASSICAL NATURE OF ATOMIC AND MOLECULAR COLLISIONS.
W. Miller
1971
Corpus ID: 54662425
The dynamical features of atomic and molecular collisions (including quantum effects) can be accurately described by classical…
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Highly Cited
1971
Highly Cited
1971
LATTICE DISTORTION NEAR VACANCIES IN DIAMOND AND SILICON .1.
F. Larkins
,
A. Stoneham
1971
Corpus ID: 6320239
A dynamical relaxation procedure, coupled with a valence force potential, has been used to calculate the distortion around point…
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