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The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. These models often require solving a system…
In this paper, we provide a continuum model for the fluctuations of the symmetric simple exclusion process about its hydrodynamic limit. The model is based on an approximating sequence of stochastic PDEs with nonlinear, conservative noise.…
Stochastic evolution underpins several approaches to the dynamics of open quantum systems, such as random modulation of Hamiltonian parameters, the stochastic Schrodinger equation (SSE), and the stochastic Liouville equation (SLE). These…
We develop a convergent reaction-drift-diffusion master equation (CRDDME) to facilitate the study of reaction processes in which spatial transport is influenced by drift due to one-body potential fields within general domain geometries. The…
While in two-player zero-sum games the Nash equilibrium is a well-established prescriptive notion of optimal play, its applicability as a prescriptive tool beyond that setting is limited. Consequently, the study of decentralized learning…
We discuss the role of quantum coherence in the energy fluctuations of open quantum systems. To this aim, we introduce a protocol, to which we refer to as the end-point-measurement scheme, allowing to define the statistics of energy changes…
A systematic Bayesian framework is developed for physics constrained parameter inference ofstochastic differential equations (SDE) from partial observations. The physical constraints arederived for stochastic climate models but are…
Diverse physical systems are characterized by their response to small perturbations. Near thermodynamic equilibrium, the fluctuation-dissipation theorem provides a powerful theoretical and experimental tool to determine the nature of…
Calibrating chemical kinetics in a reaction-diffusion system is challenging because of complex dynamics governed by tightly coupled chemistry and transport, while experimental observations are often sparse and noisy. We propose a physics…
We address the problem of estimating steady-state quantities associated to systems of stochastic chemical kinetics. In most cases of interest these systems are analytically intractable, and one has to resort to computational methods to…
We propose a change of variable approach and discontinuity capturing methods to ensure physical constraints for advection-reaction equations discretized by the finite element method. This change of variable confines the concentration below…
The canonical-ensemble description of reactive quantum gas mixtures is reformulated by incorporating a single global particle-number-conservation constraint over the combined spectra of inter-converting species. This constraint replaces the…
Sensitivity analysis of biochemical reactions aims at quantifying the dependence of the reaction dynamics on the reaction rates. The computation of the parameter sensitivities, however, poses many computational challenges when taking…
Kinetic schemes for compressible flow of gases are constructed by exploiting the connection between Boltzmann equation and the Navier-Stokes equations. This connection allows us to construct a flux splitting for the Navier-Stokes equations…
We introduce a novel approach based on elastic and inelastic scattering rates to extract the hyper-surface of the chemical freeze-out from a hadronic transport model in the energy range from E$_\mathrm{lab}=1.23$ AGeV to…
In this paper, we develop a new mass conservative numerical scheme for the simulations of a class of fluid-structure interaction problems. We will use the immersed boundary method to model the fluid-structure interaction, while the fluid…
Thermodynamic probes can be used to deduce microscopic internal dynamics of nanoscale quantum systems. Several direct entropy measurement protocols based on charge transport measurements have been proposed and experimentally applied to…
Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…
The adaptively compressed exchange (ACE) method provides an efficient way for solving Hartree-Fock-like equations in quantum physics, chemistry, and materials science. The key step of the ACE method is to adaptively compress an operator…
In this work, the MMC-TDGL equation, a stochastic Cahn-Hilliard equation is solved numerically by using the finite difference method in combination with a convex splitting technique of the energy functional. For the non-stochastic case, we…