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Chemistry

Faces of Summit: Getting Acclimated
1 month ago

Faces of Summit: Getting Acclimated

By  •  1 month ago  •  People

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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Chemistry Applications Get in Top Shape for Summit
2 years ago

Chemistry Applications Get in Top Shape for Summit

By  •  2 years ago  •  Technology

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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Researchers Flip Script for Li-Ion Electrolytes to Simulate Better Batteries
2 years ago

Researchers Flip Script for Li-Ion Electrolytes to Simulate Better Batteries

By  •  2 years ago  •  Science

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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Chemistry Consortium Uses Titan to Understand Actinides
3 years ago

Chemistry Consortium Uses Titan to Understand Actinides

By  •  3 years ago  •  Science

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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UT students experience supercomputing on Titan
4 years ago

UT students experience supercomputing on Titan

By  •  4 years ago  •  People

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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Simulation Shuffles Protons and Electrons

By  •  5 years ago  •  Science

Titan is allowing scientists to simulate proton-coupled electron transfer at a level that was previously impossible.
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Researchers recruit Titan to study key molecular switch that controls cell behavior

By  •  5 years ago  •  Science

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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High Honors For OLCF Users

By  •  5 years ago  •  People

Two prominent OLCF users were recently named UT-Battelle Corporate Fellows.
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Packing the ions

By  •  7 years ago  •  Science

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 Simulations Speed Clean Energy Production and Storage

By  •  7 years ago  •  Science

Chemistry and materials science simulations made possible through Robert Harrison’s INCITE project have generated 70 scientific publications since 2008.
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ORNL’s Apra Honored by HPCwire

By  •  8 years ago  •  People

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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