|
Parrinello Lecture |
Session Chairman: Frank
Hagelberg
Jackson State University |
|
Michele Parrinello
Swiss Federal Institute
of Technology Zurich |
New Strategies for Large Scale Atomistic Modeling |
|
2nd Session |
Session Chairman:
Frances Hill
Army
High Performance Computing Research Center |
|
Axel D. Becke
Queen's University |
Van der Waals Interactions from the Exchange
Hole Dipole Moment |
|
Wim Klopper
Universität Karlsruhe |
Current Trends in Explicitly Correlated Coupled
Cluster Theory |
|
3rd Session |
Session Chairman:
Peter Pulay
University of Arkansas |
|
Helena Dodziuk
Polish Academy of
Sciences |
Modelling The Structure of Fullerenes and Their
Endohedral Complexes with Nontrivial Topological
Properties |
|
Andrzej Wierzbicki
University of South
Alabama |
Combining Computational and Experimental
Techniques to Study Complex Interfacial
Adsorption Phenomena |
|
Jack C. Wells
Oak Ridge National
Laboratory |
Searching for Nanowire Candidates among Synthetic Nucleic
Acids |
|
4th Session |
Session Chairman:
Jaroslav Burda
Charles University in Prague |
|
Stephen L. Mayo
California Institute of
Technology |
Modulation and De Novo Design of Protein-Protein
Interactions |
|
Jiali Gao
University of Minnesota |
Dynamics, Pathways, and Tunneling – A Computational
Perspective of Enzyme Catalysis |
|
5th Session |
Session Chairman:
Jane Murray
University of New Orleans |
|
David M.
Close
East Tennessee State University |
The Accurate Calculations of Hyperfine Couplings
with Density Functional Theory |
|
Jiøí Šponer
Academy of Sciences of
the Czech Republic |
Structure, Dynamics and Molecular Interactions of
Functional RNAs. Advanced Computational Studies |
|
6th Session |
Session Chairman:
Peter Politzer
University of New Orleans |
|
Hans Lischka
University of Vienna |
Ab Initio Theory and On-The-Fly Dynamics: The
Photochemistry of the C=C Bond and Excited-State
Proton Transfer |
|
C. David Sherrill
Georgia Institute of
Technology |
Energy Landscapes from π-Stacking to Bond-Breaking |
