March 11, 2020

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Developer Blog: Creating Faster Molecular Dynamics Simulations with GROMACS 2020

GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes exciting new performance improvements resulting from a long-term collaboration between NVIDIA and the core GROMACS developers. … Read more

March 5, 2020

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

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. … Read more

October 3, 2018

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Nature: Supercharge your Research with a GPU

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. … Read more

July 13, 2018

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AI Helps Automate the Drug Discovery Process

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. … Read more

May 31, 2018

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New Physics Research Aims to Answer the Mysteries of the Universe

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. … Read more

May 18, 2018

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Improving Biomolecular Design with GPU-Accelerated Supercomputers

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. The research could help scientists create new materials for water purification, renewable energy, breakthroughs in medicine, drug development, and many more possible applications. The work of combining […] … Read more

February 6, 2017

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23,000 Atoms Mapped for First Time

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. … Read more

January 16, 2017

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Share Your Science: Fighting Ebola with Supercomputer Simulations

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 drug design and materials design. … Read more

November 29, 2016

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Share Your Science: Understanding Cancer Biology with GPUs

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. … Read more

July 14, 2016

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Meet the New Tesla-Accelerated Supercomputer at Michigan State University

Accelerated by 200 Tesla K80 GPUs, the Laconia Supercomputer was recently unveiled at the Institute for Cyber-Enabled Research at Michigan State University. Named after a region in Greece that was home to … Read more

Tag Archives: Molecular Dynamics

Developer Blog: Creating Faster Molecular Dynamics Simulations with GROMACS 2020

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

Nature: Supercharge your Research with a GPU

AI Helps Automate the Drug Discovery Process

New Physics Research Aims to Answer the Mysteries of the Universe

Improving Biomolecular Design with GPU-Accelerated Supercomputers

23,000 Atoms Mapped for First Time

Meet the New Tesla-Accelerated Supercomputer at Michigan State University

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