相关论文: Quantum Diffusive Dynamics of Macromolecular Trans…
The dominant reaction pathway (DRP) is a rigorous framework to microscopically compute the most probable trajectories, in non-equilibrium transitions. In the low-temperature regime, such dominant pathways encode the information about the…
Using the Dominant Reaction Pathways method, we perform an ab-initio quantum-mechanical simulation of a conformational transition of a peptide chain. The method we propose makes it possible to investigate the out-of-equilibrium dynamics of…
We discuss a method by which quantum fluctuations can be included in microscopic transport models based on wave packets that are not energy eigenstates. By including the next-to-leading order term in the cumulant expansion of the…
This paper is devoted to the development of a theoretical and computational framework to efficiently sample the statistically significant thermally activated reaction pathways, in multi-dimensional systems obeying Langevin dynamics. We show…
We develop a theoretical approach to the protein folding problem based on out-of-equilibrium stochastic dynamics. Within this framework, the computational difficulties related to the existence of large time scale gaps in the protein folding…
We formulate a method for incorporating quantum fluctuations into molecular- dynamics simulations of many-body systems, such as those employed for energetic nuclear collision processes. Based on Fermi's Golden Rule, we allow spontaneous…
Interacting argon atoms are simulated with a recently developed quantum Langevin transport treatment that takes approximate account of the quantum fluctuations inherent in microscopic many-body descriptions based on wave packets. The mass…
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion…
Driven-dissipative nonlinear systems exhibit rich critical behavior, related to bifurcation, bistability and switching, which underlie key phenomena in areas ranging from physics, chemistry and biology to social sciences and economics. The…
We investigate modifications of the discrete-time lattice action, for a quantum mechanical particle in one spatial dimension, that vanish in the na\"ive continuum limit but which, nevertheless, induce non-trivial effects due to quantum…
The role of quantum fluctuations in modifying the critical behavior of non-equilibrium phase transitions is a fundamental but unsolved question. In this study, we examine the absorbing state phase transition of a 1D chain of qubits…
Of indisputable relevance for non-equilibrium thermodynamics, fluctuations theorems have been generalized to the framework of quantum thermodynamics, with the notion of work playing a key role in such contexts. The typical approach consists…
Diffusion limited reaction of the Lotka-Volterra type is analyzed taking into account the discrete nature of the reactants. In the continuum approximation, the dynamics is dominated by an elliptic fixed-point. This fixed-point becomes…
When a quantum many-particle system exists on a randomly diluted lattice, its intrinsic thermal and quantum fluctuations coexist with geometric fluctuations due to percolation. In this paper, we explore how the interplay of these…
We consider the quantum nonequilibrium dynamics of systems where fermionic particles coherently hop on a one-dimensional lattice and are subject to dissipative processes analogous to those of classical reaction-diffusion models. Particles…
To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R. P. Feynman. However, the huge computation time required for…
Antisymmetrized molecular dynamics (AMD) with quantum branching processes is reformulated so that it can be applicable to the collisions of heavy nuclei such as Au + Au multifragmentation reactions. The quantum branching process due to the…
We study the non equilibrium dynamics in the fermionic Hubbard model after a sudden change of the interaction strength. To this scope, we introduce a time dependent variational approach in the spirit of the Gutzwiller ansatz. At the…
Stochastic processes with absorbing states feature remarkable examples of non-equilibrium universal phenomena. While a broad understanding has been progressively established in the classical regime, relatively little is known about the…
Dynamical quantum phase transitions (DQPTs) are non-equilibrium transitions characterized by the orthogonality between an initial quantum state and its time-evolved counterpart following a sudden quench. Recently, studies of this phenomenon…