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This paper presents a novel spatial discretisation method for the reliable and efficient simulation of Bose-Einstein condensates modelled by the Gross-Pitaevskii equation and the corresponding nonlinear eigenvector problem. The method…
This study proposed a new numerical scheme for vortex lattice formation in a rotating Bose-Einstein condensate (BEC) using smoothed particle hydrodynamics (SPH) with an explicit real-time integration scheme. Specifically, the…
We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core…
Speeding up computationally expensive problems, such as numerical simulations of large micromagnetic systems, requires efficient use of parallel computing infrastructures. While parallelism across space is commonly exploited in…
Solving real-world optimal control problems are challenging tasks, as the complex, high-dimensional system dynamics are usually unrevealed to the decision maker. It is thus hard to find the optimal control actions numerically. To deal with…
ytopt is a Python machine-learning-based autotuning software package developed within the ECP PROTEAS-TUNE project. The ytopt software adopts an asynchronous search framework that consists of sampling a small number of input parameter…
The fundamental properties of molecules bridge experiment and theory. Transport properties (diffusion, thermal diffusion, thermal conductivity and viscosity) of binary mixtures are measurable in experiments, and well-defined in theory, but…
The recently developed semi-Lagrangian discontinuous Galerkin approach is used to discretize hyperbolic partial differential equations (usually first order equations). Since these methods are conservative, local in space, and able to limit…
Lattice Boltzmann methods are a popular mesoscopic alternative to macroscopic computational fluid dynamics solvers. Many variants have been developed that vary in complexity, accuracy, and computational cost. Extensions are available to…
Momentum distributions and temporal power spectra of nonzero temperature Bose-Einstein condensates are calculated using a Gross-Pitaevskii model. The distributions are obtained for micro-canonical ensembles (conservative Gross-Pitaevskii…
We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…
We introduce a new class of processes for the evaluation of multivariate equity derivatives. The proposed setting is well suited for the application of the standard copula function theory to processes, rather than variables, and easily…
Solving the Bhatnagar-Gross-Krook (BGK) equation with a stochastic particle approach enables efficient and flexible simulations of flows in the transition regime, between continuum and free molecular flow. However, the usual first-order…
Recently, computers have diversified architectures. To achieve high numerical calculation software performance, it is necessary to tune the software according to the target computer architecture. However, code optimization for each…
We present a randomized differential testing approach to test OpenMP implementations. In contrast to previous work that manually creates dozens of verification and validation tests, our approach is able to randomly generate thousands of…
Multi-output Gaussian processes (MOGPs) leverage the flexibility and interpretability of GPs while capturing structure across outputs, which is desirable, for example, in spatio-temporal modelling. The key problem with MOGPs is their…
Fitting complicated models to large datasets is a bottleneck of many analyses. We present GooFit, a library and tool for constructing arbitrarily-complex probability density functions (PDFs) to be evaluated on nVidia GPUs or on multicore…
GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an…
We present a kinetic description of Bose-Einstein condensation for particle systems being out of thermal equilibrium, which may happen for gluons produced in the early stage of ultra-relativistic heavy-ion collisions. The dynamics of bosons…
We present a hardware-accelerated SAT solver targeting processor/Field Programmable Gate Arrays (FPGA) SoCs. Our solution accelerates the most expensive subroutine of the Davis-Putnam-Logemann-Loveland (DPLL) algorithm, Boolean Constraint…