skip to primary navigationskip to content

LAPMD - Langevin All Purpose Molecular Dynamics Simulator

Langevin All Purpose Molecular Dynamics (Simulator)

Latest Release: pre-release
License: MIT License
Recomendation: Acknowledge the Simulator in relevant publications.

Download the current (pre-release) version

Source code as a git repository

Currently, the simulator allows 3 different populations, and 2 dimensions (i.e X,Y).

Each population is assigned with its own properties: mass, GLE parameters, PES, Number of particles
- GLE parameters (global friction, filter, etc.)
- PES - provided via a handle to a PES function
- number of particles (coverage) - min of 1 particle per population. To simulate isolated diffusion, set all populations to the same values, and use the incoherent isf (so you average over 3 particles).

Interactions: both intra- and inter- population.

Be aware of Simulink options of 'accelerate' and 'super-accelerate', which refer to different degrees of compilation of the model. In case of many iterations, or large number of particles, its recommended to use accelerated mode.

This pre-release version is poorly tested, especially the part of interaction.

The simulator is configured using config_model.m
You can start from 'plot_average_isf.m', and find your way.
For more details or guidance - contact na364 or djw77, both AT

FUNDING: The development and current maintenance are funded by the Cavendish Laboratory and the Herchel Smith Fund.

RSS Feed Latest news

PhD Project Available through CDT in Diamond Science and Technology

May 01, 2018

A fully funded PhD project to study the properties of Polycrystalline Diamond has recently become available through the CDT for Diamond Science and Technology. For more information contact Andrew Jardine <apj24>.

New Graduate Projects for 2017 Entry

Jan 24, 2017

New SMF group projects for PhD and MPhil research are now online.

View all news