Interatomic potential
Functions for calculating potential energy
Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
Nº Q3399989 ★
Common · Knowledge
Interatomic potential
Functions for calculating potential energy
Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
From Wikipedia
Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties. Examples of quantitative properties and qualitative phenomena that are explored with interatomic potentials include lattice parameters, surface energies, interfacial energies, adsorption, cohesion, thermal expansion, and elastic and plastic material behavior, as well as chemical reactions.
Text: Wikipédia, CC BY-SA 4.0. · Image: Knordlun (CC BY-SA 3.0) ·
Related cards
-
Quantum chemistry
Field of chemistry
Nº Q188403 ★★★
Not listed
-
Atomic physics
Field of physics studying atoms
Nº Q26383 ★★
Not listed
-
Computational chemistry
Branch of chemistry
Nº Q369472 ★★
Not listed
-
Morse potential
Interatomic interaction model
Nº Q1783557 ★★
Not listed
-
Molecular dynamics
Method of computer simulation of molecular interaction
Nº Q901663 ★★
Not listed
-
Atomic mass
Rest mass of an atom in its ground state
Nº Q3840065 ★★★
Not listed