A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
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Updated
Jun 12, 2023 - Python
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gcmc
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A repository to hold forcefields for molecular mechanics calculations with RASPA
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Jul 26, 2024 - Makefile
AiiDA workchains for (water) adsorption isotherms
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Sep 12, 2019 - Python
A set of LAMMPS simulations for FCC lattice systems, including copper deposition, metal interactions, and GCMC simulations. Perfect for material science exploration!
lammps
moleculardynamics
gcmc
simulationtools
materialscience
fccsimulations
copperdeposition
metalinteractions
computationalmaterials
atomicsimulations
lammpssimulations
materialsmodeling
physicssimulations
sciencesimulations
computationalscience
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Nov 28, 2024
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