Argonne National Laboratory

Thermochemistry

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 thermochemistry.

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  • 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.

  • Chemical Dynamics

    The Chemical Dynamics group uses complementary theoretical and experimental methods to explore and determine the thermochemistry, dynamics, and kinetics of gas-phase chemical processes.