Keynote Speakers 2013

Prof. Orlando Acevedo

Auburn University

Title: Chemical Reactions at Aqueous Surfaces, in Ionic Liquids, and within Catalytic Antibodies from QM/MM Simulations

Suggested Reading:

Prof. Michelle M. Francl

Bryn Mawr College

Title: Sliding Scales: Tools for Predicting and Understanding Molecular Structure from Paper and Pencil to Beowulf Clusters

Suggested Reading:

Prof. Francesco Paesani

U. of California, San Diego

Title: Molecular-level modeling of metal-organic frameworks: Breathing, adsorption, and proton conduction

Suggested Reading:

Prof. Donald G. Truhlar

U. of Minnesota

Title: Density Functional Theory: Background, Challenges, and Some Success

Suggested Reading:

Prof. Ralph Wheeler

Duquesne University

Title: Estimating Free Energy Differences using Molecular Dynamics Simulations: Amino Acid Side Chain pKa Values in Cytochrome bc1

Suggested Reading:

Prof. Theresa Windus

Iowa State University and The Ames Laboratory

Title: Extrapolation methods for Getting High Accuracy Correlation Energies of Both Ground and Excited States

Suggested Reading: