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 |