Related papers: Reaction dynamics through kinetic transition state…
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…
Determining the kinetic bottlenecks that make transitions between metastable states difficult is key to understanding important physical problems like crystallization, chemical reactions, or protein folding. In all these phenomena, the…
Closed quantum systems exhibit different dynamical regimes, like Many-Body Localization or thermalization, which determine the mechanisms of spread and processing of information. Here we address the impact of these dynamical phases in…
Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards generating quantum states beyond this equilibrium…
Dynamics of reaction coordinates during barrier-crossing are key to understand activated processes in complex systems such as proteins. The default assumption from Kramers physical intuition is that of a diffusion process. However, the…
Since steep declines in a population's size also typically alter its composition, population bottlenecks are considered highly important for evolution. However, despite such significance, the mechanisms governing the impact of a given…
Active systems evade the rules of equilibrium thermodynamics by constantly dissipating energy at the level of their microscopic components. This energy flux stems from the conversion of a fuel, present in the environment, into sustained…
Equilibrium phase transitions may be defined as nonanalytic points of thermodynamic functions, e.g., of the canonical free energy. Given a certain physical system, it is of interest to understand which properties of the system account for…
An interesting aspect of nuclear dynamics is the co--existence, in atomic nuclei, of regular and chaotic states. In the first part of the present work, we review the state of the art of nuclear dynamics and use a schematic shell model to…
We study structural transitions in a system of interacting particles arranged as a crystalline bilayer, as a function of the density $\rho$ and the distance $d$ between the layers. As $d$ is decreased a sequence of transitions involving…
In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the…
Gravitational and electromagnetic interactions are Hamiltonian systems with forces between pairs of particles. We propose an alternative: Hamiltonian dynamics with triplet interactions between point particles. Our system has a potential…
We consider how the occurrence of first-order phase transitions in non-constant pressure differs from those at constant pressure. The former has shown the non-linear phase structure of mixed matter, which implies a particle number…
We review a theoretical perspective of the dynamics of glass forming liquids and the glass transition. It is a perspective we have developed with our collaborators during this decade. It is based upon the structure of trajectory space. This…
We investigate the dynamics of a gas of non-interacting particle-like soliton waves, demonstrating that phase transitions originate from their collective behavior. This is predicted by solving exactly the nonlinear equations and by…
Advances in atomic physics have led to the possibility of a coherent transformation between ultra-cold atoms and molecules including between completely bosonic condensates. Such transformations are enabled by the magneto-association of…
Transfer of free energy from large to small velocity-space scales by phase mixing leads to Landau damping in a linear plasma. In a turbulent drift-kinetic plasma, this transfer is statistically nearly canceled by an inverse transfer from…
We review the effects of excited-state quantum phase transitions (ESQPTs) in interacting many-body systems with finite numbers of collective degrees of freedom. We classify typical ESQPT signatures in the spectra of energy eigenstates with…
We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori it is possible to define phase space dividing…
The finite duration of collisions appear as time-nonlocality in the kinetic equation. Analyzing the corresponding quantum kinetic equation for dense interacting Fermi systems a delay differential equation is obtained which combines time…