Folding@Home Crowdsources GPU-accelerated exaFLOP Supercomputer for COVID-19 Research

HPC, Top Stories, Cluster/Supercomputing, COVID, Featured, Molecular Dynamics

Nadeem Mohammad, posted Apr 08 2020

To help tackle COVID-19, the long-running Folding@Home program, a distributed computing project for simulating protein dynamics, hit a breakthrough by achieving more than an exaflop of processing power.

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Developer Blog: Creating Faster Molecular Dynamics Simulations with GROMACS 2020

HPC, Development Tools & Libraries, Featured, Molecular Dynamics, Simulation

Nadeem Mohammad, posted Mar 11 2020

GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020.

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Oak Ridge National Laboratory Scientists Identify Compounds That Could Shed More Light on the Coronavirus

HPC, Cluster/Supercomputing, COVID, Featured, Molecular Dynamics

Nadeem Mohammad, posted Mar 05 2020

To help respond to the COVID-19 coronavirus outbreak, researchers at the Oak Ridge National Laboratory (ORNL) are using the world’s fastest supercomputer to identify compounds that may effectively combat the virus.

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Nature: Supercharge your Research with a GPU

Accelerated Computing, Features, Astronomy & Astrophysics, Cluster/Supercomputing, Computer Vision & Machine Vision, Machine Learning & Artificial Intelligence, Molecular Dynamics

Nadeem Mohammad, posted Oct 03 2018

NVIDIA GPUs power the world’s fastest supercomputer, and 20 of the 100 most powerful supercomputing clusters in the world are also powered by them too.

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AI Helps Automate the Drug Discovery Process

Artificial Intelligence, Computer Vision & Machine Vision, Image Processing, Image Recognition, Machine Learning & Artificial Intelligence, Molecular Dynamics

Nadeem Mohammad, posted Jul 13 2018

Researchers from Google, along with collaborators from academia, announced today they developed a deep learning-based system for identifying protein crystallization, achieving a 94 percent accuracy rate.

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New Physics Research Aims to Answer the Mysteries of the Universe

Accelerated Computing, Features, Cluster/Supercomputing, Molecular Dynamics, Tesla

Nadeem Mohammad, posted May 31 2018

Physicists from more than a dozen institutions used the power of the GPU-accelerated Titan Supercomputer at Oak Ridge National Laboratory to calculate a subatomic-scale physics problem of measuring the lifetime of neutrons.

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Improving Biomolecular Design with GPU-Accelerated Supercomputers

Accelerated Computing, Cluster/Supercomputing, Material Science, Molecular Dynamics, Tesla

Nadeem Mohammad, posted May 18 2018

For the first time ever, chemists from the University of California, San Diego designed a two-dimensional protein crystal simulation that toggles between states of varying porosity and density.

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23,000 Atoms Mapped for First Time

Research, Cluster / Supercomputing, CUDA, Government / National Labs, Higher Education / Academia, Molecular Dynamics, Tesla

Nadeem Mohammad, posted Feb 06 2017

Scientists used an extremely high-resolution transmission electron microscope to capture 2D projections of the nanoparticle’s structure, and used an algorithm to stitch those together into a 3D reconstruction.

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Share Your Science: Fighting Ebola with Supercomputer Simulations

Research, Cluster / Supercomputing, Computational Chemistry, Healthcare & Life Sciences, Higher Education / Academia, Molecular Dynamics, Share Your Science, Tesla

Nadeem Mohammad, posted Jan 16 2017

Thomas Cheatham, professor of Medicinal Chemistry and the director of research computing at University of Utah shares how they’re using the GPU-accelerated Blue Waters supercomputer and NVLink to compute the interactions of atoms that can lead to dru

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Share Your Science: Understanding Cancer Biology with GPUs

Research, Computational Chemistry, CUDA, Healthcare & Life Sciences, Molecular Dynamics, Share Your Science, Social Impact, Tesla

Nadeem Mohammad, posted Nov 29 2016

Gil Speyer, Senior Postdoctoral Fellow at the Translational Genomics Research Institute (TGen) shares how NVIDIA technology is accelerating the computer processing of transcriptomes from thousands of cells gleaned from patient tumor samples.

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