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Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Marcos Novalbos, Jaime Gonzalez, Miguel A. Otaduy, Roberto Martinez Benito, Alberto Sanchez

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Tags: Algorithms, Biomolecules, Chemistry, CUDA, Electrostatic potential, Electrostatics, FFT, Molecular dynamics, Multilevel summation, N-body simulation, nVidia, nVidia GeForce GTX 580, nVidia GeForce GTX Titan

September 15, 2014 by hgpu

Multilevel summation of electrostatic potentials using graphics processing units

David J. Hardy, John E. Stone, Klaus Schulten

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Tags: Chemistry, CUDA, Electrostatics, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce GTX 280, Physics, Tesla C870, Tesla D870

November 2, 2010 by hgpu

Accelerating molecular modeling applications with graphics processors

John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten

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Tags: Chemistry, Computational chemistry, CUDA, Electrostatic potential, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce 8800 GTX

October 30, 2010 by hgpu

Fancier High-Performance API

Fancier: A Unified Framework for Java, C, and OpenCL Integration

A Compiler Framework for Optimizing Dynamic Parallelism on GPUs

A Compiler Framework for Optimizing Dynamic Parallelism on GPUs

GPOEO: a micro-intrusive GPU online energy optimization framework for iterative applications

Dynamic GPU Energy Optimization for Machine Learning Training Workloads

CFU Playground: Full-Stack Open-Source Framework for Tiny Machine Learning (tinyML) Acceleration on FPGAs

From Loop Fusion to Kernel Fusion: A Domain-specific Approach to Locality Optimization

System-Level Optimization and Code Generation for Graphics Processors using a Domain-Specific Language

Faster-Mean-Shift-Euc

GPU-accelerated Faster Mean Shift with euclidean distance metrics

Turbo: A constraint solver purely on GPUs (CUDA)

A Variant of Concurrent Constraint Programming on GPU

ProGraML: Program Graphs for Machine Learning

PROGRAML: A Graph-based Program Representation for Data Flow Analysis and Compiler Optimizations

Datoviz: GPU interactive scientific data visualization with Vulkan

High-Performance Interactive Scientific Visualization With Datoviz via the Vulkan Low-Level GPU API

NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systems

NetKet 3: Machine Learning Toolbox for Many-Body Quantum Systems

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