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 …

Transport phenomena in spatially periodic systems far from thermal equilibrium are
considered. The main emphasis is put on directed transport in so-called Brownian motors …

Quantum‐classical formulations of reactive flux correlation functions require the partial Weyl–
Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …

The seminal hypotheses proposed over the years for enzymatic catalysis are scrutinized.
The historical record is explored from both biochemical and theoretical perspectives …

The activities of integral membrane proteins are often affected by the structures of the lipid
molecules that surround them in the membrane. One important parameter is the …

THE timescale of the response of solvent molecules to electronic rearrangement of solute
molecules has a critical influence on the rates of chemical reactions in liquids1–10. In …

Protein dynamics are essential for protein function, and yet it has been challenging to
access the underlying atomic motions in solution on nanosecond-to-microsecond time …

In biological and chemical electron transfer, a nuclear reaction coordinate is coupled to
other nuclear~ nd/or" solvent" coordinates. This coupling, or friction, if strong enough, may …

We show, by application to a simple protein folding model, how a stochastic Hamiltonian can
be used tostudy a complex chemical reaction. This model is found to have many metastable …

A theoretical treatment is given for the effect of intramolecular vibrational and diffusive
solvent orientational motions on the rate of electron transfer reactions. Four limiting cases …