Molecular Dynamics

This is the main portal that provides introductory information about one of the most popular molecular simulation technique, namely, the molecular dynamics.

If you want to learn how to carry out MD simulation using DL_POLY, you can go to the DL_POLY Tutorial portal.

../../_images/periodic_md.png

Table of contents:


../../_images/iddy-reading.jpg


D.C. Rapaport, ‘The Art of Molecular Dynamics Simulation’, 2nd Ed., Cambridge Univ. Press (2004)

M.P. Allen and D.J. Tildersley, ‘Computer Simulation of Liquids’, 2nd Ed., Oxford Univ. Press (2017)