相关论文: Revisiting nuclear tunnelling in the aqueous ferro…
We revisit the well-known aqueous ferrous-ferric electron transfer reaction in order to address recent suggestions that nuclear tunnelling can lead to significant deviation from the linear response assumption inherent in the Marcus picture…
We describe a path-integral molecular dynamics implementation of our recently developed golden-rule quantum transition-state theory (GR-QTST). The method is applied to compute the reaction rate in various models of electron transfer and…
We present a simple method for the calculation of reaction rates in the Fermi golden-rule limit, which accurately captures the effects of tunnelling and zero-point energy. The method is based on a modification of the recently proposed…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
Kramers-Grote-Hynes factor is the key nonequilibrium contribution to rate constant of a reaction over and above the transition state theory rate in the spatial limited regime. Wolynes in eighties introduced a quantum correction to the…
We demonstrate that the probability distribution of the net number of electrons passing through a quantum system in a junction obeys a steady-state fluctuation theorem (FT) which can be tested experimentally by the full counting statistics…
Mesoscopic systems provide us a unique experimental stage to address non-equilibrium quantum statistical physics. By using a simple tunneling model, we describe the electron exchange process via a quantum coherent conductor between two…
We consider the role of quantum effects in the transfer of hyrogen-like species in enzyme-catalysed reactions. This study is stimulated by claims that the observed magnitude and temperature dependence of kinetic isotope effects imply that…
This dissertation unifies one of the central methods of classical rate calculation, `Transition-State Theory' (TST), with quantum mechanics, thereby deriving a rigorous `Quantum Transition-State Theory' (QTST). The resulting QTST is…
We present a microscopic approach to the quantum tunneling of vortices. The formalism characterizes the rate at which a many-body superconducting state with a vortex in one location makes a transition to a second many-body superconducting…
A model is proposed for studying the reaction dynamics in complex quantum systems in which the complete mixing of states is hindered by an internal barrier. Such systems are often treated by the transition-state theory, also known in…
Recently there has been increasing interest in alternate methods to compute quantum tunneling in field theory. Of particular interest is a stochastic approach which involves (i) sampling from the free theory Gaussian approximation to the…
Quantum proton tunneling (QPT) in the two representative multi-electron/-proton transfer electrode processes, i.e. hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR), was investigated by using polycrystalline platinum…
Quantum state transfer (QST) describes the coherent passage of quantum information from one node in a network to another. Experiments on QST span a diverse set of platforms and currently report transport across up to tens of nodes in times…
Kinetics of phase separation transition in boson-fermion cold atom mixtures is investigated. We identify the parameters at which the transition is governed by quantum nucleation mechanism, responsible for the formation of critical nuclei of…
Fermi's golden rule defines the transition rate between weakly coupled states and can thus be used to describe a multitude of molecular processes including electron-transfer reactions and light-matter interaction. However, it can only be…
Fluctuation theorems have elevated the second law of thermodynamics to a statistical realm by establishing a connection between time-forward and time-reversal probabilities, providing invaluable insight into nonequilibrium dynamics. While…
The quantum phase transition in iron-based superconductors with 'half-Dirac' node at the electron Fermi surface as a $T=0$ structural phase transition described in terms of nematic order is discussed. An effective low energy theory that…
Turbulence is one of the most prototypical phenomena of systems driven out of equilibrium. While turbulence has been studied mainly with classical fluids like water, considerable attention is now drawn to quantum turbulence (QT), observed…
A quantum phase transition that was recently observed in a high-mobility silicon MOSFET is analyzed in terms of a scaling theory. The most striking characteristic of the transition is a divergence of the thermopower, according to an inverse…