Related papers: Transition State Theory for dissipative systems wi…
We present an extensive set of surface and chemisorption energies calculated using state of the art many-body perturbation theory. In the first part of the paper we consider ten surface reactions in the low coverage regime where…
This paper looks at the early theory of phase transitions. It considers a group of related concepts derived from condensed matter and statistical physics. The key technical ideas here go under the names of "singularity", "order parameter",…
We define a subclass of Chemical Reaction Networks called Post-Translational Modification systems. Important biological examples of such systems include MAPK cascades and two-component systems which are well-studied experimentally as well…
We investigate dissipative phase transitions in an open central spin system. In our model the central spin interacts coherently with the surrounding many-particle spin environment and is subject to coherent driving and dissipation. We…
Nonlinear dynamical systems may be exposed to tipping points, critical thresholds at which small changes in the external inputs or in the systems parameters abruptly shift the system to an alternative state with a contrasting dynamical…
We apply a recently developed theory for metastability in open quantum systems to a one-dimensional dissipative quantum Ising model. Earlier results suggest this model features either a non-equilibrium phase transition or a smooth but sharp…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
For the theoretical understanding of the reactivity of complex chemical systems accurate relative energies between intermediates and transition states are required. Despite its popularity, density functional theory (DFT) often fails to…
We study thermally activated dynamics using functional renormalization within the field theory of randomly pinned elastic systems, a prototype for glasses. It appears through an essentially non-perturbative boundary layer in the running…
Reaction-diffusion systems driven far from thermodynamic equilibrium through the injection of energy can support multiple distinct spatial patterns that persist as long-lived dynamical phases. The stability of these metastable phases is not…
Dynamics with a threshold input--output relation commonly exist in gene, signal-transduction, and neural networks. Coupled dynamical systems of such threshold elements are investigated, in an effort to find differentiation of elements…
The study of dynamical phase transitions has been attracting considerable research efforts in the last decade. One theme of present interest is to search for exotic scenarios beyond the framework of equilibrium phase transitions. Here, we…
A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the…
We study an open-chain totally asymmetric exclusion process (TASEP) with stochastic gates present at the two boundaries. The gating dynamics has been modeled keeping the physical system of ion-channel gating in mind. These gates can…
The use of linear response theory for forced dissipative stochastic dynamical systems through the fluctuation dissipation theorem is an attractive way to study climate change systematically among other applications. Here, a mathematically…
Whereas the importance of transient dynamics to the functionality and management of complex systems has been increasingly recognized, most of the studies are based on models. Yet in realistic situations the models are often unknown and what…
Many non-equilibrium systems display dynamic phase transitions from active to absorbing states, where fluctuations cease entirely. Based on a field theory representation of the master equation, the critical behavior can be analyzed by means…
Driven diffusive systems have provided simple models for non-equilibrium systems with non-trivial structures. Steady state behaviour of these systems with constant boundary conditions have been studied extensively. Comparatively less work…
The investigation of the Hamiltonian dynamical counterpart of phase transitions, combined with the Riemannian geometrization of Hamiltonian dynamics, has led to a preliminary formulation of a differential-topological theory of phase…
Quantum Phase Transition (QPT) is a phase transition between different quantum states by adjusting some control parameters. Based on the Principle of Hamilton Dynamics (PHD) and the Principle of Lagrangian Dynamics (PLD), a general QPT…