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.
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.
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.