Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics

A Mandal, MAD Taylor, BM Weight… - Chemical …, 2023 - ACS Publications
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …

Reaction-rate theory: fifty years after Kramers

P Hänggi, P Talkner, M Borkovec - Reviews of modern physics, 1990 - APS
The calculation of rate coefficients is a discipline of nonlinear science of importance to much
of physics, chemistry, engineering, and biology. Fifty years after Kramers' seminal paper on …

Quantum dynamical effects of vibrational strong coupling in chemical reactivity

LP Lindoy, A Mandal, DR Reichman - Nature Communications, 2023 - nature.com
Recent experiments suggest that ground state chemical reactivity can be modified when
placing molecular systems inside infrared cavities where molecular vibrations are strongly …

Swinging between shine and shadow: Theoretical advances on thermally activated vibropolaritonic chemistry

JA Campos-Gonzalez-Angulo, YR Poh, M Du… - The Journal of …, 2023 - pubs.aip.org
Polariton chemistry has emerged as an appealing branch of synthetic chemistry that
promises mode selectivity and a cleaner approach to kinetic control. Of particular interest are …

Non-Markovian modeling of protein folding

C Ayaz, L Tepper, FN Brünig… - Proceedings of the …, 2021 - National Acad Sciences
We extract the folding free energy landscape and the time-dependent friction function, the
two ingredients of the generalized Langevin equation (GLE), from explicit-water molecular …

Stochastic processes and applications

GA Pavliotis - Texts in applied mathematics, 2014 - Springer
The purpose of this book is to present various results and techniques from the theory of
stochastic processes and in particular diffusion processes that are useful in the study of …

Current status of transition-state theory

DG Truhlar, BC Garrett… - The Journal of physical …, 1996 - ACS Publications
We present an overview of the current status of transition-state theory and its
generalizations. We emphasize (i) recent improvements in available methodology for …

[图书][B] The Langevin equation: with applications to stochastic problems in physics, chemistry and electrical engineering

W Coffey, YP Kalmykov - 2012 - books.google.com
This volume is the third edition of the first-ever elementary book on the Langevin equation
method for the solution of problems involving the translational and rotational Brownian …

Generalized Langevin equation with a nonlinear potential of mean force and nonlinear memory friction from a hybrid projection scheme

C Ayaz, L Scalfi, BA Dalton, RR Netz - Physical review E, 2022 - APS
We introduce a hybrid projection scheme that combines linear Mori projection and
conditional Zwanzig projection techniques and use it to derive a generalized Langevin …

Resonant cavity modification of ground-state chemical kinetics

LP Lindoy, A Mandal, DR Reichman - The Journal of Physical …, 2022 - ACS Publications
Recent experiments have suggested that ground-state chemical kinetics can be suppressed
or enhanced by coupling molecular vibrations with a cavity radiation mode. Here, we …