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Computational modeling of assembly is challenging for many systems because their timescales vastly exceed those accessible to simulations. This article describes the MultiMSM, which is a general framework that uses Markov state models…
We study the existence of densities for distributions of piecewise deterministic Markov processes. We also obtain relationships between invariant densities of the continuous time process and that of the process observed at jump times. In…
We present a method for investigating the steady-state transport properties of one-dimensional correlated quantum systems. Using a procedure based on our analysis of finite-size effects in a related classical model (LC line) we show that…
A consistent description of simultaneous heat and particle transport, including cross effects, and the associated entropy balance is given in the framework of a deterministic dynamical system. This is achieved by a multibaker map where,…
SAM, a plant-level system analysis tool for advanced reactors (SFR, LFR, MSR/FHR) is under development at Argonne. As a modern system code, SAM aims to improve the predictions of 3D flows relevant to reactor safety during transient…
Discrete flow models offer a powerful framework for learning distributions over discrete state spaces and have demonstrated superior performance compared to the discrete diffusion models. However, their convergence properties and error…
Control strategies for dissipative preparation of target quantum states, both pure and mixed, and subspaces are obtained by switching between a set of available semigroup generators. We show that the class of problems of interest can be…
Quantum state transport is an important way to study the energy or information flow. By combining the unconventional Rydberg pumping mechanism and the diagonal form of van der Waals interactions, we construct a theoretical model via…
We present a closed-form, computable expression for the expected number of times any transition event occurs during the transient phase of a reducible Markov chain. Examples of events include time to absorption, number of visits to a state,…
We describe a general approach to the theory of self consistent transfer operators. These operators have been introduced as tools for the study of the statistical properties of a large number of all to all interacting dynamical systems…
A transfer matrix method relating the process of refinement of a fractal measure to thermodynamic formalism of an appropriate Ising model is applied to the analysis of intermittency in hadron collisions revealing that underlying dynamics is…
Understanding the entanglement structure of out-of-equilibrium many-body systems is a challenging yet revealing task. Here we investigate the entanglement dynamics after a quench from a piecewise homogeneous initial state in integrable…
Turbulent pipe flow is still an essentially open area of research, boosted in the last two decades by considerable progress achieved both on the experimental and numerical frontiers, mainly related to the identification and characterization…
We consider generalized definitions of mixing and exactness for random dynamical systems in terms of Markov operator cocycles. We first give six fundamental definitions of mixing for Markov operator cocycles in view of observations of the…
We consider the dynamics of a single electron in a chain of tunnel coupled quantum dots, exploring the formal analogies of this system with some of the laser-driven multilevel atomic or molecular systems studied by Bruce W. Shore and…
The solidification and macro-segregation problem involving unsteady multi-physics and multi-phase fields is typically a complex process with mass, momentum, heat, and species transfers among solid, mushy, and liquid phase regions. The…
What can one say on convergence to stationarity of a finite state Markov chain that behaves "locally" like a nearest neighbor random walk on ${\mathbb Z}$ ? The model we consider is a version of nearest neighbor lazy random walk on the…
Marcus theory is fundamental to describing electron transfer reactions and quantifying their rates, effectively representing the energy surface associated with an electron transfer from the reactant to the product ionic state via parabolas…
Stochastic models of reaction networks are becoming increasingly important in Systems Biology. In these models, the dynamics is generally represented by a continuous-time Markov chain whose states denote the copy-numbers of the constituent…
NMR is uniquely endowed to analyze dynamics, with line shape and relaxation measurements covering timescales over several orders of magnitude. Further insight arises from pulse sequences like chemical exchange saturation transfer or…