Review article on transition path sampling published

A review article that Peter Bolhuis and I wrote on transition path sampling has just been published in Advanced Theory and Simulations. One of the things we focused on in this article is the fact that a lot of techniques in path sampling are analogous to techniques from configurational sampling. Indeed, the original idea of transition path sampling took the well-known idea of configurational Monte Carlo sampling, and applied that to trajectories instead of configurations. This has always been one of my favorite aspects of TPS, so it was a lot of fun to contribute to a review that emphasized that point. As part of the special issue “Molecular Simulation for the Next Decade,” the article also discusses some of the developments in path sampling software that I’ve been particularly involved with.

Peter G. Bolhuis and David W.H. Swenson. “Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook.” Adv. Theory and Simul. 4 2000237 (2021).