Modeling ion channels: Past, present, and future

D Sigg - Journal of General Physiology, 2014 - rupress.org
Ion channels are membrane-bound enzymes whose catalytic sites are ion-conducting pores
that open and close (gate) in response to specific environmental stimuli. Ion channels are …

Reaction rate theory: What it was, where is it today, and where is it going?

E Pollak, P Talkner - Chaos: An Interdisciplinary Journal of Nonlinear …, 2005 - pubs.aip.org
A brief history is presented, outlining the development of rate theory during the past century.
Starting from Arrhenius [Z. Phys. Chem. 4, 226 (1889)], we follow especially the formulation …

Selective adsorption resonances: Quantum and stochastic approaches

AS Sanz, S Miret-Artés - Physics reports, 2007 - Elsevier
In this review we cover recent advances in the theory of the selective adsorption
phenomenon that appears in light atom/molecule scattering off solid surfaces. Due to the …

On the second-order corrections to the quantum canonical equilibrium density matrix

E Geva, E Rosenman, D Tannor - The Journal of Chemical Physics, 2000 - pubs.aip.org
We consider the equilibrium state of a quantum system weakly coupled to a quantum bath
within second order perturbation theory. It was previously shown by Romero-Rochin and …

Wigner function approach to the quantum Brownian motion of a particle in a potential

WT Coffey, YP Kalmykov, SV Titov… - Physical Chemistry …, 2007 - pubs.rsc.org
Recent progress in our understanding of quantum effects on the Brownian motion in an
external potential is reviewed. This problem is ubiquitous in physics and chemistry …

Surprisal analysis of diffusion processes

R Saravanan, RD Levine - Chemical Physics, 2022 - Elsevier
We report a preliminary step in the application of information theory motivated surprisal
analysis to irreversible processes but having linear equations of motion. Here we aim to …

Semiclassical dynamics of open quantum systems: Comparing the finite with the infinite perspective

CM Goletz, W Koch, F Grossmann - Chemical Physics, 2010 - Elsevier
We extend the applicability of the Semiclassical Hybrid Dynamics (SCHD)[F. Grossmann, J.
Chem. Phys. 125 (2006) 014111, C.-M. Goletz, F. Grossmann, J. Chem. Phys. 130 (2009) …

Collisional line shapes for low frequency vibrations of adsorbates on a metal surface

JL Vega, R Guantes, S Miret-Artés… - The Journal of chemical …, 2004 - pubs.aip.org
Vibrational spectroscopy of adsorbed species atoms or molecules on solid surfaces is a
powerful technique for extracting information on adsorbate-adsorbate and …

Two-dimensional vibrational spectroscopy of a double minimum system in a dissipative environment

O Kühn, Y Tanimura - The Journal of chemical physics, 2003 - pubs.aip.org
A dissipative bistable system presents the simplest model to describe condensed phase
reaction dynamics. Using a quantum master equation approach to calculate multitime dipole …

Statistical mechanics of mean field Ehrenfest quantum/classical molecular dynamics: The damped harmonic oscillator

G Käb - The Journal of Physical Chemistry A, 2004 - ACS Publications
In this contribution, we discuss the statistical mechanical implications of the mean field
Ehrenfest method of quantum/classical dynamics for a quantum harmonic oscillator in a …