Talk about the LAMMPS engine in OpenPathSampling
I was invited to give a presentation at a one-day event called “LAMMPS for molecular dynamics simulations: from development to applications,” held in Lyon. I gave a talk about path sampling and the (experimental) support for LAMMPS as a molecular dynamics engine in OpenPathSampling.
In addition to the slides, which are linked below, the Jupyter notebooks for the live demo are in a GitHub gist.
Note: Slides don't work very well in mobile browsers (at least, not yet!)
David W.H. Swenson
RESEARCH · OPS talk