Jul 21 2021
Matthew Zimmer defends PhD thesis
Congratuations to Matthew Zimmer for defending his PhD thesis!
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.
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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 17 2021
Jiace and Zhuoran pass candidacy
Second-year grads Jiace Sun and Zhuoran Qiao pass their candidacy exams with flying colors. Bravo to both!
Jun 15 2021
Bo and Xinglong's paper in press in JPCA
Visiting student Bo Li and recent postdoctoral scholar Xinglong Zhang's joint work in collaboration with the Spokoyny group at UCLA, on the electronic structure of super-oxidized radical cationic dodecaborate-based clusters, is now in press at The Journal of Physical Chemistry A (JPCA). Well done to both!