The BUQEYE collaboration (Bayesian Uncertainty Quantification: Errors in Your effective field theory) presents a pedagogical introduction to projection-based, reduced-order emulators for applications ...

The use of enhanced sampling simulations is essential in the study of complex physical, chemical, and biological processes. We devise a procedure that, by combining machine learning and biased ...

The problem of sampling complex systems characterized by metastable states separated by kinetic bottlenecks is a universal one that has received much attention. Popular strategies involve applying a ...