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“Advancement of Material Science Capabilities to Drive Innovation in Materials”
Mathew D. Halls, Schrödinger, Inc.
Andrea Browning, Schrödinger, Inc.
要旨：
Materials of the future require deliberate design as constraints such as cost, environmental impact, and performance
needs push the requirements on material supply chains higher and higher. Tools to rapidly screen the effect of
chemical changes on behavior at multiple physical scales are necessary to continue advancing material
development at the speed required by the market. Schrödinger’s Materials Science Suite brings together the
powerful tools of quantum mechanics and molecular dynamics with intuitive simulation construction and
cheminformatics to answer that need. This talk will describe recent advances in the Materials Science Suite, as
well as the near-term roadmap for driving advanced capabilities by incorporating foundational physics-based
simulations with industry focused tools.