Oct 10 2019
Jorge's paper accepted in JCP
Congratulations to Jorge Rosa for the acceptance of his paper on parallel-in-time molecular dynamics via path integrals, which was selected as Feature Article at JCP! (link)
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.
Big news!
Our entos quantum simulation software - developed in collaboration with the group of Fred Manby at Bristol - is now available! Check it out at: www.entos.info
News
Oct 1 2019
Xinglong Zhang joins the group
The group welcomes Xinglong Zhang as a new postdoctoral member!
Sep 10 2019
Zhuoran and Ruojing join the group
First-year graduate students Zhuoran Qiao and Ruojing Peng join the group as rotation students. Welcome!
Sep 10 2019
Roman's paper accepted in JCP
Congratulations to Roman Korol for the appearance of his paper on strong stability in path-integral molecular dynamics, which was selected as an Editor's Pick at JCP! (link)
Sep 5 2019
Philip's paper accepted in JCP
Congratulations to Philip Shushkov for the acceptance of of his paper on time-dependent and finite-temperature coupled cluster theory, which was selected as a Feature Article at JCP! (link)
Sep 1 2019
James Lawniczak joins the group
James Lawniczak joins the group as a graduate student. Welcome, James!