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SuperMD

A massively parallel molecular dynamics simulation program

Easy to Use

Massively Parallel MD simulation

Expanded to 4x10^12 and 3x10^13 atoms on Sunway supercomputer and Intelligent supercomputers. GPU support is available for Hygon DCUs, NVIDIA and AMD GPUs.

Focus on What Matters

Full-featured Material Simulation

Professional simulator for material. Full ensemble support (NVE, NVT, NPT), various force fields (Empirical potential, AI potential, APIs for customized potential), and many analysis tools are available.

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Parallel kinetic Monte Carlo simulation

With on-lattice and off-lattice models, it can be used to simulate the growth of thin films, the evolution of microstructures, and the diffusion of atoms in materials.