What are the Key Components of the Schrödinger Suite?
The Schrödinger Suite includes several components specifically beneficial for catalysis:
- Jaguar: A high-performance QM software for electronic structure calculations. - Desmond: A molecular dynamics package used to simulate the behavior of molecular systems. - QSite: Enables hybrid QM/MM calculations, useful for studying large systems with localized reactions. - Materials Science Suite: Offers tools for modeling and simulating materials, which can include catalysts.
