13TH ANNUAL MERCURY CONFERENCE ON UNDERGRADUATE COMPUTATIONAL CHEMISTRY
July 24-26, 2014
BUCKNELL UNIVERSITY
Lewisburg, PA
This year’s speakers were:
Edward Valeev
Virginia Tech
Predictive Theory of Electronic Structure: Are We There Yet?
Christine Aikens
Kansas State University
TD-DFT Studies of Nanoparticle Optical Properties
Geoffrey Hutchison
University of Pittsburgh
Computational Design of Organic Solar Cells: Genetic Algorithm-Driven Inverse Design
Anthony Nicholls
OpenEye Scientific Software
Lies, Damned Lies and Statistics in Molecular Modeling
Georgia McGaughey
Vertex Pharmaceuticals
Targeted versus Phenotypic Approaches in Drug Discovery
Rich Friesner
Columbia University; Schrodinger Inc.
Computational Methods for the Prediction of Protein-Ligand Binding Affinity and Applications to Structure Based Drug Discovery