August 14th, 2023
11:00 AM - 12:00 PM PST
IN-PERSON EVENT: Room 1 of the South Building at ACS Fall 2023



Beyond The Bench: The Experimentalist's Guide to Molecular Modeling in Materials Science

August 14, 2023

We are in the midst of an inflection point in the utilization and impact of molecular modeling in materials science, particularly for industrial applications. This inflection is driven by significant advancements in compute power, methods development, and the integration of physics-based methods with machine learning. Despite such promise, most materials scientists remain under-skilled in applied molecular modeling to their research challenges. 

In this workshop, we will demonstrate the hands-on use of Schrödinger's MS Maestro graphical user interface. 

We will present workflows for structure building and property prediction across several materials science application areas, including polymeric materials, homogenous catalysis and reactivity, consumer packaged goods, organic electronics, surface chemistry, battery materials and pharmaceutical formulations. 

Attendees will walk away with an understanding of how experimentalists can take advantage of simulation and modeling, as well as practical knowledge about how they can get started today.

Kindly note that registration for ACS Fall 2023 is mandatory to attend this workshop. Due to limited availability and the fact that the event is exclusively in person, we highly recommend securing your attendance at your earliest convenience to guarantee your spot.





Dr. Michael Rauch is a Principal Scientist I at Schrödinger specializing in materials science and education. Michael earned his Ph.D. from Columbia University in synthetic organometallic chemistry as an NSF Graduate Research Fellow before pursuing a postdoctoral role in organic chemistry at the Weizmann Institute of Science as a Zuckerman Postdoctoral Scholar. Michael is particularly interested in green, sustainable chemistry and transforming the way that synthetic chemists utilize molecular modeling via practical education.

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