749 citations · 3.9k across the 110 of their papers we have counts for
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Spin Polarization from Circularly Polarized Light Induced Charge Transfer
Sindhana Pannir-Sivajothi, David T. Limmer
We show how a spin polarization can be generated through the photo-induced electron transfer of an achiral donor-acceptor complex following chiral light excitation. In particular,…
Nonadiabatic force matching for alchemical free-energy estimation
Jorge L. Rosa-Raíces, David T. Limmer
We propose a method to compute free-energy differences from nonadiabatic alchemical transformations using flow-based generative models. The method, nonadiabatic force matching, hin…
Large deviations of ionic currents in dilute electrolytes
Jafar Farhadi, David T. Limmer
We evaluate the exponentially rare fluctuations of the ionic current for a dilute electrolyte by means of macroscopic fluctuation theory. We consider the fluctuating hydrodynamics…
A theory for diffusion-controlled reactions within nonequilibrium steady states
Seokjin Moon, David T. Limmer
We study diffusion-controlled processes in nonequilibrium steady states, where standard rate theory assumptions break down. Using transition path theory, we generalize the relation…
Electronic origin of reorganization energy in interfacial electron transfer
Sonal Maroo, Leonardo Coello Escalante, Yizhe Wang +8
Electron transfer (ET) reactions underpin energy conversion and chemical transformations in both biological and abiological systems. The efficiency of any ET process relies on achi…
Mechanism of Shape Symmetry Breaking in Surfactant Mediated Crystal Growth
Sam Oaks-Leaf, David T. Limmer
We present a dynamical model of crystal growth, in which it is possible to reliably achieve asymmetric products, beginning from symmetric initial conditions and growing within an i…