Computational chemistry often requires specialized expertise, multiple software tools, and lengthy workflows. Researchers at the U.S. Department of Energy’s Argonne National Laboratory have developed ...
A collaborative effort between Meta, Lawrence Berkeley National Laboratory and Los Alamos National Laboratory leverages Los Alamos' expertise in building tools for molecular screening capabilities.
Researchers at The University of Manchester have created a physics‑informed machine‑learning model that can run molecular simulations for unprecedented lengths of time, even at temperatures as high as ...
Researchers at the University of Melbourne have coupled molecular dynamics-derived soot rates with computational fluid dynamics to predict soot growth in flames with near-sectional accuracy at a ...
The world’s most powerful supercomputer has raised the bar for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of ...
Get the latest federal technology news delivered to your inbox. Microsoft and the Pacific Northwest National Laboratory are banking on artificial intelligence and high-performance computing’s ...
TSMC, the world’s largest contract chipmaker, is now running semiconductor chemistry simulations roughly 50 times faster than before by deploying NVIDIA’s cuEST library inside its fabrication ...
LEMONT, Ill, July 8, 2026 — Computers have made it easier than ever before to design the perfect material for a given problem: Scientists can create a virtual version and simulate how that material ...
This article predates the current owners of Science Blog. It has not been reviewed under the current editorial process and is kept as part of the archive. The Transferring Exascale Computational ...
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