Section outline

  • General

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    Date: December 2, 12:00pm-1:00pm ET
     
    Presenters: Dr. Fedor Goumans, CCO, Software for Chemistry & Materials BV (the Netherlands)
     

    The Amsterdam Modeling Suite (AMS) provides an integrated environment for computational chemistry and materials science, combining electronic structure methods, reactive molecular dynamics, machine learning potentials, chemical kinetics, and fluid thermodynamics.

    AMS is used in a wide variety of research and engineering applications worldwide. In this seminar, we will highlight three key capabilities:

    • Electronic structure calculations for chemical bonding analysis, reactivity, and spectroscopy.
    • Automated reaction discovery, including the identification of reaction pathways, calculation of reaction rates, and construction of kinetic reaction networks.
    • Reactive molecular dynamics, including the use, distillation, and fine-tuning of foundation machine learning interatomic potentials for specific materials and chemical systems.

    Through practical examples, we will illustrate how these capabilities can be applied to research challenges in catalysis, batteries and energy materials, organic electronics, and semiconductor materials and processing. 

    Video link:  Zoom link.