molecular dynamics
Projects with this topic
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The project provides Python tool-chain and shell scripts for molecular simulation workflows: preparation, running and analysing molecular dynamics (MD) simulations of bio- and organic soft condensed matter.
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Implement molecular dynamics to investigate the formation of Lennard-Jones clusters.
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Analyse molecular dynamics simulations of interfacial and confined systems.
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A modification of GROMACS that implements the "chain coordinate", a reaction coordinate for pore formation in membranes and stalk formation between membranes
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An unsupervised learning program for analyzing molecular dynamics data
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Manybody DPD (https://journals.aps.org/pre/pdf/10.1103/PhysRevE.68.066702) with two evaporation protocols. The code is accelerated if running on a Nvidia GPU.
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Python scripting for molecular dynamics simulation using GROMACS
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Computational exercise for the Polymer Theory course @ University of Vienna
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COSIRMA (COmputer Simulator for IRradiation of MAterials)
Graphical User Interface for simulating ion irradiation of materials with molecular dynamics using PARCAS. The project is being developed at the University of Helsinki.
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Tools for the analysis of Molecular Dynamics Simulations
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