Major Upgrade to National Institutes of Health Supercomputer

Research, Bioinformatics & Genomics, Cluster/Supercomputing, Computational Chemistry, Government/National Labs, Healthcare & Life Sciences, Tesla

Nadeem Mohammad, posted Aug 03 2017

The Biowulf supercomputer at the National Institutes of Health (NIH) received an upgrade with the addition of 144 NVIDIA GPUs to help researchers discover new cures and save lives.

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Predicting Bond Energies with AI

Research, Computational Chemistry, cuDNN, Healthcare & Life Sciences, Higher Education / Academia, Machine Learning & Artificial Intelligence, Tesla

Nadeem Mohammad, posted Jun 20 2017

University of Notre Dame researchers developed a deep learning-based system that can accurately determine bond energies.

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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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Share Your Science: Calculating High-Accuracy Molecular Energies With GPUs

Research, Cluster / Supercomputing, Computational Chemistry, Government / National Labs, Higher Education / Academia, OpenACC, Share Your Science, Tesla

Nadeem Mohammad, posted Sep 29 2016

Janus Juul Eriksen, a Ph.D. fellow at Aarhus University in Denmark, shares how he is using OpenACC to optimize and accelerate the quantum chemistry code LSDalton on the Titan Supercomputer at Oak Ridge National Laboratory.

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Uncovering Treatments for Addiction and Depression with GPU-Accelerated Supercomputing

Research, Cluster / Supercomputing, Computational Chemistry, Government / National Labs, Higher Education / Academia, Medical and Life Sciences, Molecular Dynamics, Tesla

Nadeem Mohammad, posted Jun 22 2016

A team lead by Cornell University researchers are using the Titan Supercomputer at Oak Ridge National Laboratory to study mechanisms of sodium-powered transporters in cell-to-cell communications.

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Cleaning Up Radioactive Waste from World War II With Supercomputing

Features, Research, Cluster / Supercomputing, Computational Chemistry, Defense, Government / National Labs, Higher Education / Academia, Tesla

Nadeem Mohammad, posted May 19 2016

The Handford site in southeastern Washington is the largest radioactive waste site in the United Sates and is still awaiting cleanup after more than 70 years.

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Open, Reproducible Computational Chemistry with Python and CUDA

CUDA Spotlight, Computational Chemistry, CUDA, Python

Nadeem Mohammad, posted Oct 12 2015

Increasingly, computational chemistry researchers use GPUs to push the boundaries of discovery. This motivated Christopher Cooper, an Instructor at Universidad Técnica Federico Santa María in Chile, to move to a Python-based software stack.

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