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.

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.
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.
Christopher J. Knight

Christopher’s interests include development of large-scale molecular simulation algorithms and understanding scientific application performance on future computational resources.
Murat Keceli

Murat has experience in developing & implementing scalable methods related to electronic & vibrational structure of molecules & extended systems. He has interest in applying deep learning methods for accurate calculations of thermochemical properties.
Yuri Alexeev

Yuri Alexeev focuses on the development of quantum computing algorithms, modeling quantum systems, and circuit simulators for high-performance supercomputers.

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