Chemistry | Page 16

Applications

CUSA and CUDE: GPU-accelerated methods for estimating solvent accessible surface area and desolvation

David Dynerman, Erick Butzlaff, Julie C. Mitchell

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Tags: Bioinformatics, Biology, Biophysics, Chemistry, Computational biology, CUDA, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Solvent effects

October 29, 2010 by hgpu

Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach

Tetsu Narumi, Kenji Yasuoka, Makoto Taiji, Siegfried Hofinger

Tags: ASIC, Chemistry, Computational chemistry, MDGRAPE, Poisson Boltzmann, Solvent effects

October 29, 2010 by hgpu

GPU acceleration of cutoff pair potentials for molecular modeling applications

Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, Wen Mei

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Tags: Algorithms, Biology, Chemistry, CUDA, Medicine, Molecular dynamics, nVidia, Tesla C870

October 28, 2010 by hgpu

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

M. J. Harvey, G. De Fabritiis

Tags: Chemistry, Computational chemistry, Molecular dynamics, nVidia

October 28, 2010 by hgpu

GPU acceleration of a production molecular docking code

Bharat Sukhwani, Martin C. Herbordt

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Tags: Bioinformatics, Biophysics, Chemistry, FPGA, Molecular dynamics, nVidia, Tesla C1060

October 27, 2010 by hgpu

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

M. J. Harvey, G. Giupponi, G. De Fabritiis

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Tags: Biological Physics, Chemistry, Computational Physics, CUDA, GPU cluster, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Package, Physics, Tesla C1060

October 27, 2010 by hgpu

pharos: performance monitoring instrumentation for multi-FPGA systems

Performance Monitoring of Multi-FPGA Systems

Efficient Video Compression via Content-Adaptive Super-Resolution

CUDA Modular Polynomial (CUMODP) Library

Parallel Arbitrary-precision Integer Arithmetic

Energy-aware Task Scheduling with Deadline Constraint in DVFS-enabled Heterogeneous Clusters

CUDA Tutorial - Cryptanalysis of Classical Ciphers Using Modern GPUs and CUDA

CUDA Tutorial – Cryptanalysis of Classical Ciphers Using Modern GPUs and CUDA

Ginkgo: a high-performance linear algebra library for manycore systems, with a focus on sparse solution of linear systems

Porting a sparse linear algebra math library to Intel GPUs

Exa.TrkX: Machine Learning for Particle Track Reconstruction

Physics and Computing Performance of the Exa.TrkX TrackML Pipeline

A Compiler Infrastructure for Accelerator Generators

LIKWID: A Lightweight Performance-Oriented Tool Suite

ECM modeling and performance tuning of SpMV and Lattice QCD on A64FX

hls4ml: A package for machine learning inference in FPGAs

hls4ml: An Open-Source Codesign Workflow to Empower Scientific Low-Power Machine Learning Devices

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2021

April

27-29

Munich, Germany

9th International Workshop on OpenCL and SYCL, 2021

2020

December

10-14

Virtually in Barcelona, Spain

The 18th International Conference on High Performance Computing & Simulation (HPCS), 2020

2020

November

24-27

Naha, Okinawa, Japan

The Fifth International Workshop on GPU Computing and AI (GCA), 2020

2021

January

13-15

Shenzhen, China

2nd International Conference on Frontiers of Intelligent Manufacturing and Automation (CFIMA’21), 2021

2020

December

14-16

Bangkok, Thailand

International Conference on Cyber Physical Systems and IoT (CPSIOT’20), 2020

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high performance computing on graphics processing units: hgpu.org

Applications

CUSA and CUDE: GPU-accelerated methods for estimating solvent accessible surface area and desolvation

Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach

GPU acceleration of cutoff pair potentials for molecular modeling applications

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

GPU acceleration of a production molecular docking code

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

Recent source codes

pharos: performance monitoring instrumentation for multi-FPGA systems

Efficient Video Compression via Content-Adaptive Super-Resolution

CUDA Modular Polynomial (CUMODP) Library

Energy-aware Task Scheduling with Deadline Constraint in DVFS-enabled Heterogeneous Clusters

CUDA Tutorial - Cryptanalysis of Classical Ciphers Using Modern GPUs and CUDA

Ginkgo: a high-performance linear algebra library for manycore systems, with a focus on sparse solution of linear systems

Exa.TrkX: Machine Learning for Particle Track Reconstruction

A Compiler Infrastructure for Accelerator Generators

LIKWID: A Lightweight Performance-Oriented Tool Suite

hls4ml: A package for machine learning inference in FPGAs

Most viewed papers (last 30 days)

Featured events

9th International Workshop on OpenCL and SYCL, 2021

The 18th International Conference on High Performance Computing & Simulation (HPCS), 2020

The Fifth International Workshop on GPU Computing and AI (GCA), 2020

2nd International Conference on Frontiers of Intelligent Manufacturing and Automation (CFIMA’21), 2021

International Conference on Cyber Physical Systems and IoT (CPSIOT’20), 2020