The only way to connect to our clusters is by secure shell (ssh), e.g. from a Linux/UNIX system: ssh -l your_username carya.rcdc.uh.edu ssh -l your_username sabine ...

The MC-Exchange Python package has been developed to support the dynamic bond exchange reactions (BERs) during a molecular dynamics (MD) simulation run using LAMMPS (Large-scale Atomic/Molecular ...

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The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In ...

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The Windows version of the Python interpreter can be run from the command line the same way it’s run in other operating systems, by typing python or python3 at the prompt. But there’s a feature unique ...

Sandia supercomputer simulations of atomic behavior under extreme conditions advances materials modeling. Top: In a process that lasts about half a nanosecond, supercritical particle size is rendered ...