IMD is a software package for classical molecular dynamics simulations. Several types of interactions are supported, such as central pair potentials, EAM potentials for metals, Stillinger-Weber and Tersoff potentials for covalent systems, and Gay-Berne potentials for liquid crystals. A rich choice of simulation options is available: different integrators for the simulation of the various thermodynamic ensembles, options that allow to shear and deform the sample during the simulation, and many more. There is no restriction on the number of particle types.
Keywords for this software
References in zbMATH (referenced in 7 articles , 1 standard article )
Showing results 1 to 7 of 7.
- Trȩdak, Przemysław; Rudnicki, Witold R.; Majewski, Jacek A.: Efficient implementation of the many-body reactive bond order (REBO) potential on GPU (2016)
- Weiß, Andreas; Karastoyanova, Dimka: Enabling coupled multi-scale, multi-field experiments through choreographies of data-driven scientific simulations (2016) ioport
- Broedling, Nils C.; Hartmaier, Alexander; Buehler, Markus J.; Gao, Huajian: The strength limit in a bio-inspired metallic nanocomposite (2008)
- Bitzek, Erik; Gumbsch, Peter: Atomistic simulations of dislocation -- crack interaction (2007)
- Schaaf, Gunther; Gähler, Franz; Kohler, Christopher; Koschella, Ulrich; Resta, Nicoletta; Roth, Johannes; Rudhart, Christoph; Trebin, Hans-Rainer: Simulation of dislocations in icosahedral quasicrystals with IMD. (2002)
- Hahn, J.; Trebin, H.-R.: Molecular dynamics of covalent crystals (2000)
- Roth, Johannes; Stadler, Jörg; Brunelli, Marco; Bunz, Dietmar; Gähler, Franz; Hahn, Jutta; Hohl, Martin; Horn, Christof; Kaiser, Jutta; Mikulla, Ralf; Schaaf, Gunther; Stelzer, Joachim; Trebin, Hans-Rainer: IMD -- A massively parallel molecular dynamics package for classical simulations in condensed matter physics (2000)
Further publications can be found at: http://imd.itap.physik.uni-stuttgart.de/publications.html