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LAMMPScuda – a new GPU accelerated Molecular Dynamics Simulations Package and its Application to Ion-Conducting Glasses

Christian Robert Trott

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Tags: Biology, Computational Physics, CUDA, Heterogeneous systems, Molecular dynamics, nVidia, nVidia GeForce GTX 280, nVidia GeForce GTX 470, Package, Physics, Polymer Systems, Tesla C1060, Thesis

February 13, 2012 by hgpu

Implementing Molecular Dynamics on Hybrid High Performance Computers – Particle-Particle Particle-Mesh

W. Michael Brown, Axel Kohlmeyer, Steven J. Plimpton, Arnold N. Tharrington

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Tags: Algorithms, Chemistry, CUDA, Electrostatics, GPU cluster, Heterogeneous systems, Molecular dynamics, nVidia, OpenCL, OpenMPI, Package, Physics, Tesla M2070

February 10, 2012 by hgpu

GPU-based Swendsen-Wang multi-cluster algorithm for the simulation of two-dimensional classical spin systems

Yukihiro Komura, Yutaka Okabe

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Tags: Algorithms, Computational Physics, CUDA, Ising model, Monte Carlo simulation, nVidia, nVidia GeForce GTX 285, nVidia GeForce GTX 580, Physics, Spin Systems, Statistical Mechanics

February 6, 2012 by hgpu

An OpenCL implementation for the solution of TDSE on GPU and CPU architectures

Cathal O'Broin, Lampros A. A. Nikolopoulos

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Tags: Algorithms, ATI, ATI FirePro V7800, Computational Physics, Differential equations, nVidia, ODEs, OpenCL, Ordinary differential equations, Physics, Quantum Physics, Tesla S1070

January 31, 2012 by hgpu

Accelerating Beam Dynamics Simulations with GPUs

I.V. Pogorelov, K. Amyx, P. Messmer

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Tags: Algorithms, CUDA, High Energy Physics - Experiment, nVidia, Optimization, Physics, Tesla C2070

January 23, 2012 by hgpu

Analysis Acceleration in TMVA for the ATLAS Experiment at CERN using GPU Computing

Hazel McKendrick

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Tags: CUDA, High Energy Physics - Experiment, Machine learning, Neural networks, nVidia, Physics, Tesla C1060, Tesla C2050, Thesis

January 23, 2012 by hgpu

Accelerating the Simulations of the Ising Model by the GPU under the CUDA Environment

Xing Lu, Jing Cai, Peidong Cui, Wei Zhang

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Tags: Algorithms, CUDA, Ising model, Monte Carlo simulation, nVidia, Physics, Tesla C1060

January 22, 2012 by hgpu

Four-dimensional Cone Beam CT Reconstruction and Enhancement using a Temporal Non-Local Means Method

Xun Jia, Zhen Tian, Yifei Lou, Jan-Jakob Sonke, Steve B. Jiang

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Tags: Algorithms, Computed tomography, CT, CUDA, Medical Physics, Medicine, nVidia, Physics, Tesla C1060, Tomography

January 17, 2012 by hgpu

A Fast Jet Finder Algorithm Using Graphic Processing Unit

Raman Sehgal, A. K. Mohanty

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Tags: Algorithms, CUDA, Jets, Nuclear physics, nVidia, nVidia GeForce GT 520, Physics

January 16, 2012 by hgpu

Acceleration and Optimisation of a Monte Carlo Code for Light Propagation in Sprays and Other Scattering Media

Joakim Jonsson

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Tags: CUDA, Monte Carlo simulation, nVidia, nVidia GeForce GTX 460, Optics, Optimization, Physics, Thesis

January 13, 2012 by hgpu

Parallelizing Kernel Polynomial Method Applying Graphics Processing Units

Shixun Zhang, Shinichi Yamagiwa, Masahiko Okumura, Seiji Yunoki

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Tags: Algorithms, Chemistry, Condensed matter, CUDA, nVidia, Physics, Tesla C2050

January 10, 2012 by hgpu

Gauge Fixing in Lattice QCD on GPUs

Mario Schrock

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Tags: CUDA, High Energy Physics - Lattice, nVidia, nVidia GeForce GTX 480, Physics, QCD

January 9, 2012 by hgpu

A Safety Report on GPT-5.2, Gemini 3 Pro, Qwen3-VL, Grok 4.1 Fast, Nano Banana Pro, and Seedream 4.5

DICE: Diffusion Large Language Models Excel at Generating CUDA Kernels

KernelGYM & Dr. Kernel: A distributed GPU environment and a collection of RL training methods to support RL for Kernel Generations

Dr. Kernel: Reinforcement Learning Done Right for Triton Kernel Generations

Theorizer: from the paper Generating Literature-Driven Scientific Discoveries at Scale

Generating Literature-Driven Scientific Theories at Scale

Nsight Python: a Python kernel profiling interface based on NVIDIA Nsight Tools

Nsight Python: A Python-First Profiling Toolkit for Seamless GPU Kernel Analysis (Tool)

Awesome LLM-Driven Kernel Generation

Towards Automated Kernel Generation in the Era of LLMs

See all packages

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high performance computing on graphics processing units: hgpu.org

LAMMPScuda – a new GPU accelerated Molecular Dynamics Simulations Package and its Application to Ion-Conducting Glasses

Implementing Molecular Dynamics on Hybrid High Performance Computers – Particle-Particle Particle-Mesh

GPU-based Swendsen-Wang multi-cluster algorithm for the simulation of two-dimensional classical spin systems

An OpenCL implementation for the solution of TDSE on GPU and CPU architectures

Accelerating Beam Dynamics Simulations with GPUs

Analysis Acceleration in TMVA for the ATLAS Experiment at CERN using GPU Computing

Accelerating the Simulations of the Ising Model by the GPU under the CUDA Environment

Four-dimensional Cone Beam CT Reconstruction and Enhancement using a Temporal Non-Local Means Method

A Fast Jet Finder Algorithm Using Graphic Processing Unit

Acceleration and Optimisation of a Monte Carlo Code for Light Propagation in Sprays and Other Scattering Media

Parallelizing Kernel Polynomial Method Applying Graphics Processing Units

Gauge Fixing in Lattice QCD on GPUs

Recent source codes

A Safety Report on GPT-5.2, Gemini 3 Pro, Qwen3-VL, Grok 4.1 Fast, Nano Banana Pro, and Seedream 4.5

DICE: Diffusion Large Language Models Excel at Generating CUDA Kernels

KernelGYM & Dr. Kernel: A distributed GPU environment and a collection of RL training methods to support RL for Kernel Generations

Vortex-Optimized Light-weight Toolchain (VOLT)

SciDef: Automated Definition Extraction from Scientific Literature

bioagent-bench: Benchmark for evaluating LLM agents in bioinformatics

Benchmark suite for LLM inference on NVIDIA consumer GPUs

Theorizer: from the paper Generating Literature-Driven Scientific Discoveries at Scale

Nsight Python: a Python kernel profiling interface based on NVIDIA Nsight Tools

Awesome LLM-Driven Kernel Generation

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