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When addressing the thermodynamics of finite-sized systems, one must specify whether one wants to fix conserved charges to a sharp value or whether one is content to fix their thermodynamic average. In other words, contrary to the…
The generalized symmetry method is applied to a class of completely discrete equations including the Adler-Bobenko-Suris list. Assuming the existence of a generalized symmetry, we derive a few integrability conditions suitable for testing…
Recovering a 3D surface from its surface normal map, a problem known as normal integration, is a key component for photometric shape reconstruction techniques such as shape-from-shading and photometric stereo. The vast majority of existing…
We derive a mixed-dimensional 3D-1D formulation of the electrostatic equation in two domains with different dielectric constants to compute, with an affordable computational cost, the electric field and potential in the relevant case of…
We compare two approaches to compute a portion of the spectrum of dense symmetric definite generalized eigenproblems: one is based on the reduction to tridiagonal form, and the other on the Krylov-subspace iteration. Two large-scale…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
Solving quantum impurity problems may advance our understanding of strongly correlated electron physics, but its development in multi-impurity systems has been greatly hindered due to the presence of shared bath. Here, we propose a general…
Fitted finite element methods are constructed for a singularly perturbed convection-diffusion problem in two space dimensions. Exponential splines as basis functions are combined with Shishkin meshes to obtain a stable parameter-uniform…
In this article, interior penalty discontinuous Galerkin methods using immersed finite element functions are employed to solve parabolic interface problems. Typical semi-discrete and fully discrete schemes are presented and analyzed.…
A framework to systematically decouple high order elliptic equations into combination of Poisson-type and Stokes-type equations is developed. The key is to systematically construct the underling commutative diagrams involving the complexes…
An efficient time-stepping algorithm is proposed based on operator-splitting and the space-time discontinuous Galerkin finite element method for problems in the non-classical theory of thermoelasticity. The non-classical theory incorporates…
We study the role of the system-bath coupling for the generalized canonical thermalization [S. Popescu, et al., Nature Physics 2,754(2006) and S. Goldstein et al., Phys. Rev. Lett. 96, 050403(2006)] that reduces almost all the pure states…
A generalized-ensemble technique, multicanonical sampling, is used to study the folding of a 34-residue human parathyroid hormone fragment. An all-atom model of the peptide is employed and the protein-solvent interactions are approximated…
Trimming is a ubiquitous operation in computer-aided-design whereby parts of a geometry are merged, intersected, or simply discarded. While it grants virtually unlimited flexibility in geometric design, it introduces a plethora of other…
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical ensemble are of little use, because they tend to get trapped…
A general formalism is developed for constructing modified Hamiltonian dynamical systems which preserve a canonical equilibrium distribution by adding a time evolution equation for a single additional thermostat variable. When such systems…
A general formalism to solve nonlinear differential equations is given. Solutions are found and reduced to those of second order nonlinear differential equations in one variable. The approach is uniformized in the geometry and solves…
Demixing is the problem of identifying multiple structured signals from a superimposed observation. This work analyzes a general framework, based on convex optimization, for solving demixing problems. We present a new solution to determine…
In this paper, gradient-based optimization methods are combined with finite-element modeling for improving electric devices. Geometric design parameters are considered by affine decomposition of the geometry or by the design element…
Computer simulation models are widely used to study complex physical systems. A related fundamental topic is the inverse problem, also called calibration, which aims at learning about the values of parameters in the model based on…