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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...
a small framework for simulating molecular dynamics in MATLAB, developed for my master thesis
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Jul 10, 2021 - MATLAB
Molecular modelling of NH4F nanoclusters
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Jun 11, 2016 - 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
An implementation of the MM3 molecular dynamics code written in MATLAB
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Oct 27, 2020 - MATLAB
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
Simulation/computation models created for optical physics research
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May 22, 2018 - MATLAB
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Mar 26, 2017 - 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
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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