Related papers: Computation of nucleation of a non-equilibrium fir…
In this paper, a new fractional step method is proposed for simulating stiff and nonstiff chemically reacting flows. In stiff cases, a well-known spurious numerical phenomenon, i.e. the incorrect propagation speed of discontinuities, may be…
We develop a quantum computing scheme utilizing McLachlan variational principle in a hybrid quantum-classical algorithm to accurately calculate the transition dynamics of a closed quantum system with many excited states subject to a strong…
First-order irreversible phase transitions (IPT's) between an active regime and an absorbing state are studied in two models by means of both simulations and mean-field stability analysis. Hysteresis around coexistence is the result of the…
First-order nonequilibrium phase transitions observed in active matter, fluid dynamics, biology, climate science, and other systems with irreversible dynamics are challenging to analyze because they cannot be inferred from a simple free…
Heuristic methods for solution of problems in the NP-Complete class of decision problems often reach exact solutions, but fail badly at "phase boundaries", across which the decision to be reached changes from almost always having one value…
We present a study of the phase diagram of a random optimization problem in presence of quantum fluctuations. Our main result is the characterization of the nature of the phase transition, which we find to be a first-order quantum phase…
Using kinetic Monte Carlo simulations, we study the effect of oscillatory kinetics due to surface reconstructions on Ziff-Gulari-Barshad (ZGB) model discontinuous phase transition. To investigate the transition, we do extensive finite size…
Milestoning is an efficient method for rare event kinetics calculation using short trajectory parallelization. Mean first passage time (MFPT) is the key kinetic output of Milestoning, whose accuracy crucially depends the initial…
Understanding event-by-event correlations and fluctuations is crucial for the comprehension of the dynamics of heavy ion collisions. Relativistic hydrodynamics is an elegant tool for modeling these phenomena; however, such simulations are…
We present a method to study rare nonadiabatic dynamics in open quantum systems using transition path sampling and quantum jump trajectories. As with applications of transition path sampling to classical dynamics, the method does not rely…
We present a kinetic Monte Carlo study of the dynamical response of a Ziff-Gulari-Barshad model for CO oxidation with CO desorption to periodic variation of the CO presure. We use a square-wave periodic pressure variation with parameters…
We propose a new first-order-system least squares (FOSLS) finite-element discretization for singularly perturbed reaction-diffusion equations. Solutions to such problems feature layer phenomena, and are ubiquitous in many areas of applied…
A general procedure for studying finite-N effects in quantum phase transitions of finite systems is presented and applied to the critical-point dynamics of nuclei undergoing a shape-phase transition of second-order (continuous), and of…
We extend the random walk framework to include compounded steps, providing first-passage time (FPT) properties for a new class of superdiffusive processes, which are governed by the space-fractional spectral Fokker-Planck equation. This…
The first-passage time (FPT), i.e., the moment when a stochastic process reaches a given threshold value for the first time, is a fundamental mathematical concept with immediate applications. In particular, it quantifies the statistics of…
Simulations of scattering processes are essential in understanding the physics of our universe. Computing relevant scattering quantities from ab initio methods is extremely difficult on classical devices because of the substantial…
We study the physics of quantum phase transitions from the perspective of non-equilibrium thermodynamics. For first order quantum phase transitions, we find that the average work done per quench in crossing the critical point is…
Path sampling approaches have become invaluable tools to explore the mechanisms and dynamics of so-called rare events that are characterized by transitions between metastable states separated by sizeable free energy barriers. Their…
Classical transition state theory (TST) is the cornerstone of reaction rate theory. It postulates a partition of phase space into reactant and product regions, which are separated by a dividing surface that reactive trajectories must cross.…
We briefly review simulation schemes for the investigation of rare transitions and we resume the recently introduced Transition Interface Sampling, a method in which the computation of rate constants is recast into the computation of fluxes…