How digital molecular simulations will drive the next generation of innovation in reformulation and sustainability of consumer-packaged goods

Abstract:

Molecular modeling has historically been viewed as a research tool with little connection back to commercial products. Computational power, expertise, and precise knowledge of chemical space, along with mismanaged expectations has limited the impact of molecular modeling in industrial settings until recently. With advances in physics-based simulation methods and machine learning, molecular simulation is quickly becoming routine alongside experimentation. In this talk, the utility of modeling to develop new products, rationalize product (mis)behavior, and understand how modeling can empower researchers to drive innovation will be highlighted. Case studies will be discussed that illustrate how modeling, when correctly applied, can provide novel insight into design and selection of surfactant-based formulations and interactions with packaging.

Jeffrey M. Sanders, Ph.D.

Product Manager and Scientific Lead of Consumer Goods

Jeffrey M. Sanders received his B.S. in applied physics from Worcester Polytechnic Institute and then his Ph.D. in biophysics and molecular pharmacology from Thomas Jefferson Medical College. Since joining Schrödinger in 2013, Jeff has served several roles in both the scientific and technical aspects of computational chemistry software. He is currently the technical lead and product manager for consumer goods.