Physical Chemistry Seminars – 2006

These talks begin at 2:00 on Wednesday afternoons in Room LSEB 103 in the Life Science and Engineering Building (24 Cummington, Boston, MA 02215). There are refreshments prior to the lecture at 1:45 pm.

Seminars labeled with * are part of the Joint Theory Seminar Series sponsored by Boston University, Harvard, and the Massachusetts Institute of Technology (MIT). These joint seminars are held at MIT in Room 31-156 and start at 3:00 pm and run until 5:00 pm. These “theory afternoons” offer an exciting new seminar medium where in-depth presentation of broadly applicable methods and new approchaes can be given, almost like a mini-course. After the first 50 minutes, we break for coffee and cookies, then reconvene for the second hour. For more information on these joint BU-Harvard-MIT theory seminars (including lecture notes) please see the Joint Theory Seminars webpage.

February 1 *Mark Tuckerman

New York University

“From surface chemistry to aqueous proton transport:¬† Successes and challenges in density functional theory”

February 15 *Michiel Sprik

University of Cambridge

“Ab initio molecular dynamics simulation of redox reactions of molecules in solution”

February 22 Jaegil Kim

Boston University

Department of Chemistry (Keyes Group)

“”Enhanced sampling and its applications for model proteins”"

March 1 *Albert-Laszlo Barabasi
University of Notre Dame

“Network Biology: Understanding the cell’s functional organization”

March 15 *Ron Elber

Cornell University

“Approaches to long time simulation of complex systems”

March 22 Ken Jordan
University of Pittsburgh

“Excess Electrons and Protons in Water – a Cluster Perspective”

March 29 *Peter Bolhuis

van ‘t Hoff Institute for Molecular Sciences
University of Amsterdam

“Sampling dynamical pathways in complex systems:
from crystal nucleation to protein folding”

April 5 Irit Sagi

Weizmann Institute

“New Insights into Matrix Metalloproteinase Mechanisms Using Novel Structural-Dynamic Approach: application to drug design”

April 12 *Garnet Chang

Cornell University

“Challenges in electronic structure theory”

April 19

Amit Meller

Boston University

Biomedical Engineering

“Analyzing DNA and RNA translocations using a nanopore

April 26 Jerome Mertz

Boston University

Biomedical Engineering

Membrane potential detection with nonlinear microscopy

May 3 Irwin Oppenheim

Massachusetts Institute of Technology

“Slow dynamics in concentrated suspensions”

May 10 Parminder Mankoo

Boston University

Department of Chemistry (Keyes Group)

Induction Model for Molecular Electrostatics: Infrared Spectra, Vibrational Stark Effect and Binding Energies”

September 13* Sergei Tretiak

Los Alamos National Laboratory

“Nonlinear Optical Response and Photodynamics of Conjugated Molecules: Effects of Branching and Substitution”

September 27* Kieron Burke

University of California, Irvine

“(A) The ABC of DFT, (B) Putting TD in DFT “

October 3 Bogdan Tarus

Straub Group, Department of Chemistry, Boston University

“Dynamics of Asp23-Lys28 Salt-Bridge Formation in Amyloid-Beta(10-35) Monomers”

October 11 David Coker

Department of Chemistry, Boston University

“Observing Schr√∂dinger’s Cat: Vibrational Pure Dephasing of Excited Molecles in Condensed Phases”

October 18 Peer Fischer

Rowland Institute, Harvard University

“New Forms of Chiral Spectroscopy”

October 25* David Ronis
McGill University


November 1 Brandon Xia

Department of Chemistry and Bioinformatics Program, Boston University

“Integrated Modeling in Proteomics: from Protein Structures to Protein Networks “

November 8* Peter Rossky
Department of Chemistry and Biochemistry
University of Texas, Austin


Nobember 15 Anna Swan

Department of Electrical and Computer Engineering, Boston University

“Quasi-1D Physics in Carbon Nanotubes – Excitons, Phonons, and Their Interactions”

Nobember 29* Bernd Berg
Florida State University

“(A) A Tutorial Lecture on Markov Chain Monte Carlo Simulations, and (B) Computer Simulations of Generalized Ensembles”

December 6* Lawrence Pratt

Los Alamos National Laboratory


December 13

Frank Stillinger

Department of Chemistry Princeton University


December 20 Omololu Akin-Ojo

Wang Group

Department of Chemistry, Boston University

“First-Principles Studies of Solvated Molecules”