Jul 29 2019
Caltech News and TechBriefs highlight new PNAS paper
New paper by Jeongmin and collaborators at Northwestern University receives highlights by Caltech News and TechBriefs!
Welcome to the Miller Group at Caltech
We develop theoretical and computational methods to understand a variety of molecular processes, including enzyme catalysis, solar energy conversion, dendrite formation in lithium batteries, and the dynamics of soft matter and biological systems. An important aspect of this challenge is that many systems exhibit dynamics that couple vastly different timescales and lengthscales. A primary goal of our research is thus to develop new techniques that can bridge dynamical hierarchies and simulate complex dynamics.
Learn MoreFeatured
Ring-polymer molecular dynamics evolves Feynman path-integrals in space and time.
Coarse-grained simulations allows for the enhancement of membrane protein expression levels.
Quantum embedding provides high-level electronic structure in chemically active regions.
The connectivity of solvation sites governs ion diffusion in polymer electrolytes.
News
Jul 29 2019
Energy conversion via metal nanolayers
Jeongmin's new paper in collaboration with the Geiger group is out in PNAS! Read to learn about newly discovered, surprisingly simple mechanisms for kinetic-to-electrical energy transduction in earth-abundant materials.