About the Speaker:

Bio:

Bates College, Lewiston, Me BS 05/1988 Chemistry and Math
Boston University, Boston, MA Ph.D. 08/1993 Chemistry
University of Pennsylvania, Philadelphia, PA PostDoc 04/1997 Chemistry

Research:

Dr. Moore’s research focuses on the development and use of condensed phase, molecular simulation methods to investigate chemical problems. An understanding of the fundamental physical laws governing the interactions between atoms and molecules can be used to describe complex biological systems. The ideas Moore is pursuing are united by a common theme: unraveling the structure, dynamics, and thermodynamics of complex chemical systems such as proteins, molecular liquids, and lipid bilayers. Great success has been achieved using molecular mechanics to describe the behavior and structure of biological molecules, and ever-increasing computational power allows for larger and more complex systems to be investigated.

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About the Seminar:

Title:

Simulations of Interfaces: Idealized, Industrial, and Biological

Abstract:

My research focuses on understanding molecular interfaces using computer simulations. The presentation will showcase findings from three distinct realms of interfacial simulations. The first story investigates the fundamental aspects of liquid/vapor interfaces, highlighting a novel approach for calculating activity coefficients. The second explores interfaces involving both hard and soft matter utilizing coarse grain simulation to highlight a novel smart interface. Lastly, I will delve into the realm of biological protein-protein interfaces, specifically those influencing ion-channel formation in lipid bilayers. Through this interdisciplinary exploration, I aim to highlight the commonalities and unique challenges within these diverse interface simulations. By bridging the gaps between theory, commercial applications, and biology systems, we aspire to foster a holistic understanding of interface dynamics and inspire new avenues of research.