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The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…

A general purpose, self-adapting, Monte Carlo (MC) event generator (simulator) is described. The high efficiency of the MC, that is small maximum weight or variance of the MC weight is achieved by means of dividing the integration domain…

Computational Physics · Physics 2009-11-07 S. Jadach

OpenMP is a shared memory programming model which supports the offloading of target regions to accelerators such as NVIDIA GPUs. The implementation in Clang/LLVM aims to deliver a generic GPU compilation toolchain that supports both the…

We present an implementation of phaseless Auxiliary-Field Quantum Monte Carlo (ph-AFQMC) utilizing graphical processing units (GPUs). The AFQMC method is recast in terms of matrix operations which are spread across thousands of processing…

Computational Physics · Physics 2018-09-07 James Shee , Evan J. Arthur , Shiwei Zhang , David R. Reichman , Richard A. Friesner

Analog in-memory computing (AIMC) cores offers significant performance and energy benefits for neural network inference with respect to digital logic (e.g., CPUs). AIMCs accelerate matrix-vector multiplications, which dominate these…

We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on…

Computational Physics · Physics 2016-06-08 F. Hariri , T. M. Tran , A. Jocksch , E. Lanti , J. Progsch , P. Messmer , S. Brunner , G. Gheller , L. Villard

Differentiable model predictive control (MPC) offers a powerful framework for combining learning and control. However, its adoption has been limited by the inherently sequential nature of traditional optimization algorithms, which are…

Optimization and Control · Mathematics 2025-10-08 Emre Adabag , Marcus Greiff , John Subosits , Thomas Lew

RISC-V allows for building general-purpose computing platforms with programmable accelerators around a single open-source ISA. However, leveraging heterogeneous SoCs within high-level applications is a tedious task. In this preliminary…

Hardware Architecture · Computer Science 2025-04-08 Cyril Koenig , Enrico Zelioli , Frank K. Gürkaynak , Luca Benini

We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…

Strongly Correlated Electrons · Physics 2014-10-14 Huy Nguyen , Hao Shi , Jie Xu , Shiwei Zhang

Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm to sample from an unnormalized probability distribution. A leapfrog integrator is commonly used to implement HMC in practice, but its performance can be…

Computation · Statistics 2021-10-28 Marcel Hirt , Michalis K. Titsias , Petros Dellaportas

Monte Carlo methods are critical to many routines in quantitative finance such as derivatives pricing, hedging and risk metrics. Unfortunately, Monte Carlo methods are very computationally expensive when it comes to running simulations in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-29 Francois Belletti , Davis King , Kun Yang , Roland Nelet , Yusef Shafi , Yi-Fan Chen , John Anderson

Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

Using a realistic molecular catalyst system, we conduct scaling studies of ab initio molecular dynamics simulations using the CP2K code on both Intel Xeon CPU and NVIDIA V100 GPU architectures. We explore using process placement and…

Performance · Computer Science 2021-09-13 Dewi Yokelson , Nikolay V. Tkachenko , Robert Robey , Ying Wai Li , Pavel A. Dub

With the increasing diversity of heterogeneous architecture in the HPC industry, porting a legacy application to run on different architectures is a tough challenge. In this paper, we present OpenMP Advisor, a first of its kind compiler…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-11 Alok Mishra , Abid M. Malik , Meifeng Lin , Barbara Chapman

Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a…

Computational Physics · Physics 2015-07-10 Jim Howell , Wolfgang Bauer , Dirk Colbry , Rodney Pickett , Alec Staber , Irina Sagert , Terrance Strother

Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-15 Vladimir Mironov , Yuri Alexeev , Kristopher Keipert , Michael D'mello , Alexander Moskovsky , Mark S. Gordon

Scientific computing has long relied on double precision (64-bit floating point) arithmetic to guarantee accuracy in simulations of real-world phenomena. However, the growing availability of hardware accelerators such as Graphics Processing…

Quantum Physics · Physics 2026-01-29 Massimo Solinas , Agnes Valenti , Nawaf Bou-Rabee , Roeland Wiersema

An increasing number of applications are exploiting sampling-based algorithms for planning, optimization, and inference. The Markov Chain Monte Carlo (MCMC) algorithms form the computational backbone of this emerging branch of machine…

Machine Learning · Computer Science 2025-07-18 Shirui Zhao , Jun Yin , Lingyun Yao , Martin Andraud , Wannes Meert , Marian Verhelst

Monte Carlo simulations play a crucial role in all stages of particle collider experiments. There has been a long-term trend in HEP of both increasing collision energies and the luminosity. As a result, the requirements for MC simulations…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-27 Felix Hoffmann , Udo Kebschull

Implementation of basic local Monte-Carlo algorithms on ATI Graphics Processing Units (GPU) is investigated. The Ising model and pure SU(2) gluodynamics simulations are realized with the Compute Abstraction Layer (CAL) of ATI Stream…

High Energy Physics - Lattice · Physics 2009-03-30 Vadim Demchik , Alexei Strelchenko