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classical-simulation

Here are 3 public repositories matching this topic...

snurr-group / gRASPA

GPU Monte Carlo Simulation Code with a taste of RASPA

cpp gpu monte-carlo cuda adsorption sycl metal-organic-frameworks porous-materials classical-simulation machine-learning-potential

Updated Dec 12, 2024
C++

qbitwise

sid1993 / qbitwise

Qbitwise

quantum-computing python-3 open-source-project quantum-algorithms grovers-algorithm classical-simulation boyer-exponential-search durr-hoyer-min-finding

Updated Nov 20, 2020
Jupyter Notebook

qcgurv / topoMOx

TopoMOx, topologies for metal oxides

molecular-dynamics gromacs classical-simulation metal-oxides polyoxometalates

Updated Dec 20, 2024
Python

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