Model Drivers - Alphabetical

Model Drivers in the OpenKIM Repository

A "model driver" is a computer implementation of an interatomic potential class (e.g. the Lennard-Jones potential). Click for more information.

Each model driver is associated with multiple parameterizations called "models".

Model Driver Title
DUNN__MD_292677547454_000 A dropout uncertainty neural network (DUNN) model driver v000
EAM_CubicNaturalSpline__MD_853402641673_002 Cubic-Natural-Spline EAM Model Driver for tabulated potentials with cubic natural spline interpolation v002
EAM_Dynamo__MD_120291908751_005 EAM Model Driver for tabulated potentials with cubic Hermite spline interpolation as used in LAMMPS v005
EAM_IMD__MD_113599595631_003 EAM implementation from the IMD code v003
EAM_Magnetic2GQuintic__MD_543355979582_002 Second generation EAM potential within the magnetic potential formalism with quintic interpolation v002
EAM_MagneticCubic__MD_620624592962_002 EAM potential for magnetic bcc metals with cubic spline interpolation v002
EAM_QuinticClampedSpline__MD_532469991695_003 EAM Model Driver for tabulated potentials with clamped quintic spline interpolation v003
EAM_QuinticHermiteSpline__MD_029719603993_003 EAM Model Driver with quintic Hermite spline interpolation v003
EDIP__MD_506186535567_002 Environment-Dependent Interatomic Potential (EDIP) model driver v002
EDIP_LAMMPS__MD_783584031339_000 The environment-dependent interatomic potential (EDIP) potential v000
EMT_Asap__MD_128315414717_004 Effective Medium Theory (EMT) potential driver v004
hNN__MD_435082866799_001 A hybrid neural network model driver for multilayer two-dimensional materials developed by Wen and Tadmor (2019) v001
LJ__MD_414112407348_003 Efficient multi-species Lennard-Jones model with truncated or shifted cutoff v003
LJ_Shifted__MD_498634107543_004 Driver for the Lennard-Jones model uniformly shifted to have zero energy at the cutoff radius v004
LJ_Smoothed__MD_716364606252_001 Driver for the Lennard-Jones pair potential smoothed using a quadratic function v001
LJ_Truncated__MD_132729421025_001 Driver for the Lennard-Jones model truncated to have zero energy beyond the cutoff radius v001
MEAM_LAMMPS__MD_249792265679_002 The modified embedded atom method (MEAM) potential v002
MFF__MD_514777050453_001 Four-body Mistriotis-Flytzanis-Farantos (MFF) model driver v001
Morse_EIP__MD_429561112321_002 Model Driver for the temperature-dependent Morse pair potential shifted to zero energy at cutoff separation v002
Morse_QuinticSmoothed__MD_093895395358_003 Morse pair potential with C^2 continuous 5th order polynomial tail v003
Morse_Shifted__MD_552566534109_004 Morse pair potential shifted to zero energy at cutoff separation v004
Morse_SigmoidalSmoothed__MD_199191711608_002 Morse pair potential with sigmoidal smoothing at cutoff v002
MSMEAM_Dynamo_Gibson_Baskes__MD_080127949983_000 Multi-State Modified Embedded Atom Method (MSMEAM)
PANNA__MD_805652781592_000 Driver for PANNA v1.0.0 neural network potentials v000
QUIP__MD_915965102628_000 QUIP Model Driver v000
SNAP__MD_536750310735_000 Spectral neighbor analysis potential (SNAP) model driver v000
SW__MD_335816936951_005 Stillinger-Weber (SW) Model Driver v005
SW_MX2__MD_242389978788_001 Stillinger-Weber Model Driver for Monolayer MX2 systems v001
Tersoff_LAMMPS__MD_077075034781_005 Model driver for Tersoff-style potentials ported from LAMMPS v005
ThreeBodyBondOrder_KDS__MD_697985444380_000 Three-body bond-order potential by Khor and Das Sarma (1988) v000
ThreeBodyBondOrder_PPM__MD_184422512875_000 Three-body bond-order (Tersoff-style) potential by Purja Pun and Mishin (2017) v000
ThreeBodyBondOrder_WR__MD_817691861922_000 Three-body bond-order (Tersoff-style) potential by Wang and Rockett (1991) v000
ThreeBodyCluster_BH__MD_043141570610_000 Three-body cluster potential by Biswas and Hamann (1987) v000
ThreeBodyCluster_Gong__MD_065419309200_000 Three-body cluster potential by Gong (1993) v000
ThreeBodyCluster_KP__MD_527786671773_000 Three-body cluster potential by Kaxiras and Pandey (1988) v000
ThreeBodyCluster_SRS__MD_814842199451_000 Three-body cluster potential by Stephenson, Radny and Smith (1996) v000
TIDP__MD_167784395616_000 Driver for the Tunable Intrinsic Ductility Potential due to Rajan et al. (2016) v000
TorchML__MD_173118614730_000 Torch ML model driver v000