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Ultracold gases promise many applications in quantum metrology, simulation and computation. In this context, optimal control theory (OCT) provides a versatile framework for the efficient preparation of complex quantum states. However, due…
In this work, we develop an adaptive, multivariate partitioning algorithm for solving mixed-integer nonlinear programs (MINLP) with multi-linear terms to global optimality. This iterative algorithm primarily exploits the advantages of…
Lattice Boltzmann method models offer a novel framework for the simulation of high Reynolds number dilute gravity currents. The numerical algorithm is well suited to acceleration via implementation on massively parallel computer…
We suggest a simple Gaussian Lagrangian variational scheme for the reduced time-dependent quasi-one- and quasi-two-dimensional Gross-Pitaevskii (GP) equations of a dipolar Bose-Einstein condensate (BEC) in cigar and disk configurations,…
We developed a new and powerful algorithm by which numerical solutions for excited states in a gravito optical surface trap have been obtained. They represent solutions in the regime of strong nonlinearities of the Gross--Pitaevskii…
Random interaction models have been successful in describing the amorphous properties of solids such as spin-glasses and structural glasses. This modelling approach is applied to a system of zero-spin cold bosons moving in an amorphous…
Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…
We develop time-splitting finite difference methods, using implicit Backward-Euler and semi-implicit Crank-Nicolson discretization schemes, to study the spin-orbit coupled spinor Bose Einstein condensates with coherent coupling in quasi-one…
The Gross-Pitaevskii equation (GP), that describes the wave function of a number of coherent Bose particles contained in a trap, contains the cube of the normalized wave function, times a factor proportional to the number of coherent atoms.…
One of the barriers to the adoption of parallel computing is the inherent complexity of its programming. The Open Multi-Processing (OpenMP) Application Programming Interface (API) facilitates such implementations, providing high abstraction…
A second-order accurate and robust numerical scheme is developed for the Kapila model to simulate compressible multiphase flows. The scheme is formulated within the finite volume framework with the generalized Riemann problem (GRP) solver…
We present a program for the numerical evaluation of form factors entering the calculation of one-loop amplitudes with up to six external legs. The program is written in Fortran95 and performs the reduction to a certain set of basis…
Pariser-Parr-Pople (P-P-P) model Hamiltonian is employed frequently to study the electronic structure and optical properties of $\pi$-conjugated systems. In this paper we describe a Fortran 90 computer program which uses the P-P-P model…
Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes.…
Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and…
We consider the two-dimensional Gross-Pitaevskii equation describing a Bose-Einstein condensate in an isotropic harmonic trap. In the small coupling regime, this equation is accurately approximated over long times by the corresponding…
Robust Markov decision processes (MDPs) allow to compute reliable solutions for dynamic decision problems whose evolution is modeled by rewards and partially-known transition probabilities. Unfortunately, accounting for uncertainty in the…
We present FastGPL, a C++ library for the fast evaluation of generalized polylogarithms which appear in many multi-loop Feynman integrals. We implement the iterative algorithm proposed by Vollinga and Weinzierl in a two-step approach, i.e.,…
This documentation is designed for beginners in Graphics Processing Unit (GPU)-programming and who want to get familiar with OpenACC and OpenMP offloading models. Here we present an overview of these two programming models as well as of the…
It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure…