My research interests are driven by an
interest in understanding and thereby
controlling molecular-level phenomena.
Currently I'm working on controlling
interactions of antibodies with antigens by
computational design. I have also studied
protein aggregation fundamentals with the
goal of providing design strategies for
A complementary focus of my research involves
melding various classical and quantum chemical
simulation tools together to both develop new
techniques and to study important systems.
I have put a great deal of effort into
studying the effect that
the shape of a confining environment
has on the way that molecules adsorb, move
and encounter each other. Zeolite pores are
one such environment, but the techniques are
equally applicable to other complex systems,
such as biomolecules.
These studies are important because they lead
to a fundamental understanding of how
important physiological or industrial processes work.
With such understanding, the possibility of atomic-level
design finally emerges.
Here are details of some old projects (not current)