Department of Chemical and Biomolecular Engineering
Spring 2014 Seminar Series
Jim Pfaendtner
Assistant Professor of Chemical Engineering, University of Washington
“Using molecular simulations to engineer new
solvents and interfaces for controlling the
behavior of biomolecules”
Wednesday, April 16, 2014, 3:00 P.M.
Wu and Chen Auditorium, Levine Hall
Abstract
Rational design of unique solvents and surfaces holds great potential for
providing new ways to use biomolecules in engineering applications. Computational
models such as molecular dynamics (MD) hold great potential for connecting the
atomic scale to the mesoscale for a wide range of problems such as biocatalysis in
ionic liquids or surface-driven self-assembly of designer peptides. Unfortunately,
severe computational restrictions often limit wide-ranging use of these tools to
their full potential. New multiscale modeling algorithms that are based on MD have
been developed that can overcome these challenges, dramatically increasing the
computer’s viability as a tool for computation-driven discovery. The first part of
this talk will highlight how we are using simulations to study thermodynamic
driving forces that lead to unique orientation and conformation of peptides on
surfaces. The second part of the talk will discuss recent work from our group
exploring how nonnative media like toluene or ionic liquids changes the equilibrium
behavior of enzymes.
Jim Pfaendtner holds a B.S. in ChE (GA Tech, 2001) and a PhD in Chemical
Engineering (Northwestern University, 2007). He joined the faculty of University of
Washington in 2009 as an assistant professor. Prior to joining the UW he received
an NSF IRFP postdoctoral fellowship to work under the supervision of Profs Greg
Voth and Michele Parrinello. Jim is a 2012 Kavli Fellow of the US National Academy
of Science, and recipients of a 2012 NSF CAREER award, a 2013 ACS OpenEye
Outstanding Junior Faculty in Computation Award recipient, and a 2013 University
of Washington Presidential Distinguished Teaching Award (the highest teaching
designation awarded at the UW). Jim was also a 2013 participant of the National
Academy of Engineering Frontiers of Engineering Education Meeting. Jim’s research
group focuses on development and application of computational tools for multiscale
modeling and simulation of soft matter systems.