Скачать или смотреть High throughput reaction screening for accelerated materials research update

In this webinar, Schrödinger principal scientist Thomas Mustard demonstrates how structure-property relationships paired with automated high throughput screening can rapidly advance the rate of discovery and understanding of catalysis activity.

During the hour we look at how systematic evaluation of steric and electronic contributions provides an unprecedented fundamental understanding of factors controlling a target reaction. With these structure– property relationships, one can re-design a reaction or catalyst to achieve desired activity. Paired with automated high throughput screening, the rate of discovery and understanding is accelerated.

The content of this webinar covers reaction/catalysts activity and selectivity predictions from simulations, along with high-throughput automated methods for in silico reaction screening. Examples in areas of hydroformylation and epoxy-amine thermosets are also covered.

By the end of this webinar you will…

• Have learned how to accelerate catalysis research and development projects using Schrödinger’s leading computational chemistry software platform

• Be able to use tried-and-tested techniques to improve the accuracy of your in silico predictions with Schrödinger’s proven methodologies

• Understand ways to streamline your workflows with integrated software solutions for reaction and catalysis research projects