Generalized Langevin Equations

Uncertainty Quantification for Coarse-Grained Molecular Dynamics

Delves into uncertainty quantification in molecular dynamics, focusing on aerospace materials, modeling decisions, and coarse-grained dynamics.

Recovering dynamical properties: Path Integral Methods

Explores deconvolution of GLE spectra to predict and extract dynamical properties from MD.

Hierarchical Multi-scale Modeling of Molecular Systems

Explores the trends and challenges in modeling complex molecular systems using hierarchical multi-scale approaches, covering length-time scales, atomistic simulations, and force matching techniques.

Equilibrium GLE sampling

Explores optimizing Equilibrium GLE sampling efficiency and custom-tailored thermostats in atomistic modeling.

Effective Dynamics for Stochastic Differential Equations

Explores effective dynamics for non-reversible stochastic differential equations, covering molecular dynamics, bottlenecks, coarse-graining, and free-energy connection.