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Sep 14, 2018 - MATLAB
Molecular Dynamics
Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
Here are 14 public repositories matching this topic...
Projects of the numerical part of the course Computational Techniques for Molecular Modeling. Simulations on molecular modelling and molecular dynamics.
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Jun 18, 2021 - MATLAB
An implementation of the MM3 molecular dynamics code written in MATLAB
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Oct 27, 2020 - MATLAB
a small framework for simulating molecular dynamics in MATLAB, developed for my master thesis
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Jul 10, 2021 - MATLAB
Algorithm designed to aggregate non-bounded MD (water) molecules in order to map their parameters into the coarse-grained model.
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Sep 21, 2023 - MATLAB
Molecular modelling of NH4F nanoclusters
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Jun 11, 2016 - MATLAB
Simulation/computation models created for optical physics research
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May 22, 2018 - MATLAB
NAMD simulation setup for a an example setup of polypeptide
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May 4, 2020 - MATLAB
Prediction of transition time (kinetics) associated with aromatic ring flipping using infrequent metadynamics
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Jun 8, 2022 - MATLAB
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Mar 26, 2017 - MATLAB
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
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Apr 11, 2021 - MATLAB
Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
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Jul 14, 2021 - MATLAB
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
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Jul 18, 2020 - MATLAB
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
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Nov 12, 2021 - MATLAB
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