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The Direct Simulation Monte Carlo (DSMC) method is widely employed for simulating rarefied nonequilibrium gas flows. With advances in aerospace engineering and micro/nano-scale technologies, gas flows exhibit the coexistence of rarefied and…

Gyrokinetic codes in plasma physics need outstanding computational resources to solve increasingly complex problems, requiring the effective exploitation of cutting-edge HPC architectures. This paper focuses on the enabling of ORB5, a…

Monte Carlo (MC) neutron transport provides detailed estimates of radiological quantities within fission reactors. This involves tracking individual neutrons through a computational geometry. CPU-based MC codes use multiple polymorphic…

Cycle-level simulators such as gem5 are widely used in microarchitecture design, but they are prohibitively slow for large-scale design space explorations. We present Concorde, a new methodology for learning fast and accurate performance…

We have developed the astrophysical simulation code XFLAT to study neutrino oscillations in supernovae. XFLAT is designed to utilize multiple levels of parallelism through MPI, OpenMP, and SIMD instructions (vectorization). It can run on…

We introduce a new high-performance design for parallelism within the Quantum Monte Carlo code QMCPACK. We demonstrate that the new design is better able to exploit the hierarchical parallelism of heterogeneous architectures compared to the…

We formulate and test a hybrid fluid-Monte Carlo scheme for the treatment of elastic collisions in gases and plasmas. While our primary focus and demonstrations of applicability are for moderately collisional plasmas, as described by the…

In this paper, we present a parallel algorithm for Monte Carlo simulation of the 2D Ising Model to perform efficiently on a cluster computer using MPI. We use C++ programming language to implement the algorithm. In our algorithm, every…

We report an accessible and robust tool for evaluating the effects of Coulomb collisions on a test particle in a plasma that obeys Maxwell-J\"uttner statistics. The implementation is based on the Beliaev-Budker collision integral which…

Kinetic equations model the position-velocity distribution of particles subject to transport and collision effects. Under a diffusive scaling, these combined effects converge to a diffusion equation for the position density in the limit of…

In this work an astrophysical simulation code, XFLAT, is developed to study neutrino oscillations in supernovae. XFLAT is designed to utilize multiple levels of parallelism through MPI, OpenMP, and SIMD instructions (vectorization). It can…

The FFT of three-dimensional (3D) input data is an important computational kernel of numerical simulations and is widely used in High Performance Computing (HPC) codes running on a large number of processors. Performance of many scientific…

In nuclear fusion and fission, fluctuation and dissipation arise due to the coupling of collective degrees of freedom with internal excitations. Close to the barrier, both quantum, statistical and non-Markovian effects are expected to be…

Monte Carlo (MC) simulations play a pivotal role in diverse scientific and engineering domains, with applications ranging from nuclear physics to materials science. Harnessing the computational power of high-performance computing (HPC)…

Measuring fast ions, most notably fusion alphas, in ITER and future reactors remains an issue that still lacks an adequate solution. Numerical simulations are invaluable in testing the potential and limitations of various proposed…

Data movement between main memory and the CPU is a major bottleneck in parallel data-intensive applications. In response, researchers have proposed using compilers and intermediate representations (IRs) that apply optimizations such as loop…

MPI applications matter. However, with the advent of many-core processors, traditional MPI applications are challenged to achieve satisfactory performance. This is due to the inability of these applications to respond to load imbalances, to…

Monte Carlo simulations with the CRISP code were conducted to study spallation and fission fragment distributions induced by intermediate- and high-energy protons and photons on actinide and pre-actinide nuclei. The model accounts for…

A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…

Multi-component polymer systems are important for the development of new materials because of their ability to phase-separate or self-assemble into nano-structures. The Single-Chain-in-Mean-Field (SCMF) algorithm in conjunction with a soft,…