相关论文: Scalable Computation of $\mathcal{H}_\infty$ Energ…
We consider fully nonlinear Hamilton-Jacobi-Bellman equations associated to diffusion control problems involving a finite set-valued (or switching) control and possibly a continuum-valued control. We construct a lower complexity…
Starting with an orthogonal polynomial sequence $\{p_n(s)\}_{n=0}^\infty$ that has a discrete spectrum, we design an energy spectrum formula, $E_k = f (s_k)$, where $|{s_k\}$ is the finite or infinite discrete spectrum of the polynomial.…
In this paper, we propose a first order energy stable linear semi-implicit method for solving the Allen-Cahn-Ohta-Kawasaki equation. By introducing a new nonlinear term in the Ohta-Kawasaki free energy functional, all the system forces in…
In this article, we propose an algorithm for approximating the action of $\varphi-$functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum…
In an innovative inverse-problem construction the measured, experimental energies $E_1$, $E_2$, ...$E_N$ of a quantum bound-state system are assumed fitted by an N-plet of zeros of a classical orthogonal polynomial $f_N(E)$. We reconstruct…
We solve the nuclear two-body and three-body bound states via quantum simulations of pionless effective field theory on a lattice in position space. While the employed lattice remains small, the usage of local Hamiltonians including two-…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
In this work, we present a second-order numerical scheme to address the solution of optimal control problems constrained by the evolution of nonlinear Fokker-Planck equations arising from socio-economic dynamics. In order to design an…
Analogous to a model that predicts the linear scaling of the binding energy of a nucleus from the number of nucleons, a simple model was developed to account for the observed linear variation of the quantum-chemically computed total…
Given its widespread application in machine learning and optimization, the Kronecker product emerges as a pivotal linear algebra operator. However, its computational demands render it an expensive operation, leading to heightened costs in…
We present a simulation code which can solve broad ranges of partial differential equations in a full sphere. The code expands tensorial variables in a spectral series of spin-weighted spherical harmonics in the angular directions and a…
An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…
Coupled nonlinear integrable systems are generated from usual zero curvature equation. The relevant Maurer-Cartan forms are constructed by combining suitably chosen matrices (nilpotent, Hadamard, idempotent and k-idempotent) and Lie…
Nonlinear optimal control problems in Hilbert spaces are considered for which we derive approximation theorems for Galerkin approximations. Approximation theorems are available in the literature. The originality of our approach relies on…
A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…
In this work, we propose a method for calculating the free energy of anisotropic quantum spin systems. We use the Hubbard-Stratonovich transformation to express the partition function of a generic bilinear super-exchange Hamiltonian in…
We consider a numerical scheme for Hamilton-Jacobi equations based on a direct discretization of the Lax-Oleinik semi-group. We prove that this method is convergent with respect to the time and space stepsizes provided the solution is…
Large-scale quantum devices provide insights beyond the reach of classical simulations. However, for a reliable and verifiable quantum simulation, the building blocks of the quantum device require exquisite benchmarking. This benchmarking…