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Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…
Following our recent work [New J. Phys. 10, 053011, (2008)], here we demonstrate that due to strong nonlocal effects additional boundary conditions are essential to characterize the reflection of electromagnetic waves by nonconnected wire…
We consider a diffusion process on an evolving surface with a piecewise Lipschitz-continuous boundary from an energetic point of view. We employ an energetic variational approach with both surface divergence and transport theorems to derive…
Modelling the dynamics of dense granular media is a long standing challenge and essential to many natural phenomena and technological applications. Here, we trace back puzzling experimental observation of detailed-balanced steady states to…
We develop a practical and novel method for inference on intersection bounds, namely bounds defined by either the infimum or supremum of a parametric or nonparametric function, or equivalently, the value of a linear programming problem with…
The calculation of optimal structures in reaction-diffusion models is of great importance in many physicochemical systems. We propose here a simple method to monitor the number of interphases for long times by using a boundary flux…
The modeling of finite-extent semiconductor nanostructures that are embedded in a host material requires the numerical treatment of the boundary in a finite simulation domain. For the study of a self-assembled InAs dot embedded in GaAs,…
We consider a model of chemically reacting heat conducting compressible mixture. We investigate the corresponding system of partial differential equations in the steady regime with slip boundary conditions for the velocity and, in…
We show that some boundary conditions assumed at a thin membrane may result in normal diffusion not being the stochastic Markov process. We consider boundary conditions defined in terms of the Laplace transform in which there is a linear…
We derive a Thermodynamic Uncertainty Relation bounding the mean squared displacement of a Gaussian process with memory, driven out of equilibrium by unbalanced thermal baths and/or by external forces. Our bound is tighter with respect to…
A systematic method for the design of linear residual generators for combined fault detection and estimation in nonlinear systems is developed. The proposed residual generator is a linear functional observer built for an extended system…
Thermal contact is the archetype of non-equilibrium processes driven by constant non-equilibrium constraints enforced by reservoirs exchanging conserved microscopic quantities. In models with a finite number of possible configurations, if…
We propose a variational formulation for the nonequilibrium thermodynamics of discrete open systems, i.e., discrete systems which can exchange mass and heat with the exterior. Our approach is based on a general variational formulation for…
We present a technique to investigate the stationary states of a system of a collisionless system confined by an external potential and coupled to boundary reservoirs through prescribed reinjection rules. We consider a family of boundary…
We consider a one-dimensional chain of coupled oscillators in contact at both ends with heat baths at different temperatures, and subject to an external force at one end. The Hamiltonian dynamics in the bulk is perturbed by random exchanges…
Diffusion models have emerged as powerful tools for high-quality image generation and editing, but guiding these models to produce specific outputs remains a challenge. Conventional approaches rely on conditioning mechanisms, such as text…
Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large.…
Accurate analytical and numerical modeling of multiscale systems is a daunting task. The need to properly resolve spatial and temporal scales spanning multiple orders of magnitude pushes the limits of both our theoretical models as well as…
The properties of constrained fluids have increasingly gained relevance for applications ranging from materials to biology. In this work, we propose a multiscale model using twin neural networks to investigate the properties of a fluid…
We present a model for nonlocal diffusion with Neumann boundary conditions in a bounded smooth domain prescribing the flux through the boundary. We study the limit of this family of nonlocal diffusion operators when a rescaling parameter…