Molecular Dynamics | Argonne National Laboratory

Argonne maintains a wide-ranging science and technology portfolio that seeks to address complex challenges in interdisciplinary and innovative ways. Below is a list of all articles, highlights, profiles, projects, and organizations related specifically to molecular dynamics.

Preparing for exascale: Aurora supercomputer to help scientists visualize the spread of cancer

Scientists are preparing a cancer modeling study to run on Argonne’s upcoming Aurora supercomputer before it goes online in 2022.
International Business Machines : Gordon Bell Prize Winners Embrace Summit to Advance COVID-19 Research
Argonne National Laboratory on the first anniversary of studying the coronavirus genome
10 ways Argonne science is combatting COVID-19

Argonne scientists and research facilities have made a difference in the fight against COVID-19 in the year since the first gene sequence for the virus was published.
The AI-driven initiative that’s hastening the discovery of drugs to treat COVID-19

A novel pipeline of AI and simulation tools may make the process of screening drug candidates for COVID-19 50,000 times faster.
Collaborative AI effort unraveling SARS-CoV-2 mysteries wins prestigious Gordon Bell Special Prize

Using a combination of AI and supercomputing resources, Argonne researchers are examining the dynamics of the SARS-CoV-2 spike protein to determine how it fuses with the human host cell, advancing the search for drug treatments.
Argonne’s researchers and facilities playing a key role in the fight against COVID-19

Argonne is bringing the power of its scientific leadership and state-of-the-art user facilities to bear in the global battle against COVID-19.
Temperature Dependence of Nanoscale Structural Ordering in a Pyrrolidinium-Based Ionic Liquid

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John J. Low

John Low is a computational material scientist with expertise in quantum mechanics, molecular dynamics, Monte Carlo. He has improved materials used in catalysis, separations, gas storage, steel making, energy storage, and additive manufacturing.

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