We developed this code to effectively simulate any ab initio quantum system at finite temperature using auxiliary field quantum Monte Carlo, including solids, molecules, and …
We developed the techniques necessary to calculate and analyze geodesics on a small-molecule system, and then compute them on an established surface for formaldehyde. We …
This code generates the Force Coupling Method mobility matrix, to create the two-body resistance functions, as well as the order one corrections to the near-field …
