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.

Predicting Defect Topologies in 2D Materials and their Effect on Molecular and Ionic Transport

NST Colloquium
Xiaoyu Wang
Ancient art meets AI for better materials design

Ancient Japanese art of kirigami guides artificial intelligence (AI) technique for durable, wearable electronics.
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 2023.
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.

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