BYU

Abstract by Jacob Parkman

Personal Infomation


Presenter's Name

Jacob Parkman

Degree Level

Doctorate

Abstract Infomation


Department

Chemistry and Biochemistry

Faculty Advisor

David Michaelis

Title

Collision sampling method

Abstract

The use of computational techniques to study organic and biochemical reactions has been a pivotal aspect of the development of new chemistry. Using computational studies is now become more significant in understanding how a reaction proceeds and its ability to predict outcomes. In the Michaelis lab, we are currently researching the interface between organic and biological systems by employing a synthetic enzyme-like catalyst system. However, such systems are challenging to compute accurate representations because of the complexity and scale of such systems. The complexity leads us to develop a better computational method that will accurately describe our system. We are currently developing a sampling method that will allow us to model our system and predict reaction outcomes than current computational methods. This sampling method improves on current ones by employing a solvent-based system and which supports large complex biochemical structures.