molecular dynamics
Projects with this topic
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VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.
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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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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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Analyse molecular dynamics simulations of interfacial and confined systems.
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An unsupervised learning program for analyzing molecular dynamics data
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A computational physics coursework repository of:
Non-linear ODE solvers, Lattice Boltzmann Method (LBM), Direct Simulation Monte Carlo (DSMC), Molecular Dynamics (MD)Updated -
Implement molecular dynamics to investigate the formation of Lennard-Jones clusters.
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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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SC-MD: A Shift/Collapse (SC) Hybrid MPI/OpenMP/GPU/MIC Molecular Dynamics Code for Many-Body Potentials
SC-MD is a fast and highly scalable molecular dynamics (MD) simulator specialized for many-body potential on large-scale computing platforms.
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provide some trajecctory analysis code for gromacs-202*
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Webpage of workshop http://baltichpc.gitlab.io/
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High-performance Matrix calculation code for ECPM molecular dynamic simulation
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Compute the pair correlation of a configuration of particles using OpenCL on a GPU.
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