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Tag: Multi-scale modeling



LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics code used for simulation of solid-state materials (metals, semiconductors), soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single […]

Thoughts on nanomaterials modeling


What is¬†nanomaterials modeling? Materials at the nanoscale level (with size less than 100nm) have physical and chemical properties which are distinctive and different when compared to the bulk materials. One an example of such a¬† difference is the increase of surface area with respect to the volume at nanoscale levels, which can cause increased reactivity. […]

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