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!)


RESEARCH · OPS talk