Chemistry

In October, a scientist whose research was supported by modeling and simulation efforts on supercomputers at the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) shared the Nobel …
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In today’s technology landscape, companies are continually making improvements to electronic devices. Bigger screens, better cameras, and smarter systems are just some of the improvements these companies promise to consumers …
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The Faces of Summit series shares stories of the people behind America’s top supercomputer for open science, the Oak Ridge Leadership Computing Facility’s Summit. The IBM AC922 machine launched in …
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Preparing for a new supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) is a little like preparing for the Olympics. About every 2 to 4 years, computational scientists start …
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Ever since Italian physicist Alessandro Volta invented the first battery out of a stack of copper and zinc disks separated by moistened cardboard, scientists have been searching for better battery …
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A multi-institution team led by the University of Alabama’s David Dixon is using Titan to understand actinide chemistry at the molecular level in hopes of designing methods to clean up contamination and safely store spent nuclear fuel.
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A group of graduate students from the University of Tennessee has the unique opportunity to perform research on Oak Ridge National Laboratory’s Titan.
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Titan is allowing scientists to simulate proton-coupled electron transfer at a level that was previously impossible.
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Using computational molecular dynamics simulations, researchers at ORNL and the University of Tennessee–ORNL Joint Institute for Computational Sciences have discovered a molecular “switch” in a receptor that controls cell behavior.
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Two prominent OLCF users were recently named UT-Battelle Corporate Fellows.
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Discovery boosts supercapacitor energy storage

Flat is in the eye of the beholder.

When you’re talking about nanomaterials, however, that eye is pretty much useless unless it’s looking through an …
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Chemistry and materials science simulations made possible through Robert Harrison’s INCITE project have generated 70 scientific publications since 2008.
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The publishers of the online supercomputing magazine HPCwire expect great things of ORNL computational chemist Edoardo Aprà in the coming year. Aprà is among 10 individuals included in the magazine’s “People to Watch” list for 2011.
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