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.
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.
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.