Schrödinger is excited to be participating in the Biennial Conference on Chemical Education 2024 taking place on July 28th – August 1st in Lexington, Kentucky. Join us for a workshop by Rachel Clune, Senior Scientist I at Schrödinger, titled “Online certification courses to help experimental graduate students incorporate molecular modeling into their research.” Stop by booth 43 to speak with Schrödinger scientists.

Speaker:
Rachel Clune, Senior Scientist I, Schrödinger

Abstract:
Schrödinger’s materials science online certification courses teach students about applications of molecular modeling in chemistry and materials science through the use of the Schrödinger Materials Science platform. The target audience of the courses are experimental scientists and engineers wishing to broaden the tools they have at their disposal to understand and advance their research. The courses come with access to computing resources, allowing for researchers without access to computing clusters to still perform complex calculations. This makes the courses particularly useful for graduate students whose main focus is in experimental domains but want to make use of computational tools to further improve their research.

For the workshop, participants will be given a limited license to the Schrödinger Materials Science platform and access to a virtual cluster to run calculations. The courses are guided by active learning principles, with tutorials on how to set up and run different calculations interspersed with short (~10 minute) lectures. We will guide participants through one of the materials science online certification courses for the first 1.5-2 hours of the workshop with periodic breaks for discussion and to make sure participants are staying on track. Examples of the types of tools that will be discussed include density functional theory calculations, all-atom molecular dynamics simulations, and the use of machine learning for predicting material properties. The last hour will be reserved for participants to attempt their own calculations with guidance and help from the workshop presenters. By the end of the workshop, participants should feel comfortable using the Schrödinger’s Materials Science platform and have an understanding of how computational modeling can be an asset to their research goals.

Participants will need to bring their own laptop that is able to connect to the venue wifi and the workshop presenters will need access to a projector.