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 ...

Quantum Monte Carlo methods are powerful numerical tools to accurately solve the Schrödinger equation for nuclear systems, a necessary step to describe the structure and reactions of nuclei and ...

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 ...

Departments of Chemistry, Mathematics, Mechanical Engineering, and Physics University of Houston Houston, Texas 77204-5006 Departments of Physics and Mathematics University of Houston Houston, Texas ...

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