Bartlett Lecture

                                         Session Chairman:        David Magers
                                                                       Mississippi College

Rodney J. Bartlett
University of Florida

Coupled-Cluster Theory in Quantum Chemistry: The Emergence of a New Paradigm

2^nd Session

                                         Session Chairman: Paul B. Tchounwou

                                                              Jackson State University

Alexander D. MacKerell, Jr
University of Maryland

Development of a Polarizable Force Field Based on the Classical Drude Oscillator

Darrin M. York
University of Minnesota

Molecular Simulation and Quantum Chemical Studies of Ribozyme Catalysis

3^rd Session

                                         Session Chairman:   Charles R. Welch
                                                                            US Army ERDC

Yasuyuki Ishikawa
University of Puerto Rico

A Combined Direct Molecular Dynamics/Density-Functional Theoretical Study of the Electrochemical Hydrogen Oxidation Reaction and Underpotential Deposition of H on Pt(111)

Kwang S. Kim
Pohang University of Science and Technology

Magic Structures and Quantum Conductance of Linear Ultrathin Nanowires and Negative Differential Resistance of Molecular Wires

Szczepan Roszak
Wroclaw University of Technology

The bonding and structural and thermodynamic properties of metal-carbon and metal-silicon compounds - building blocks of same nanomaterials

4^th Session

                                         Session Chairman:      Jaroslav Burda
                                                                       Charles University

Sharon Hammes-Schiffer
Pennsylvania State University

Nuclear-Electronic Orbital Approach: Including Nuclear Quantum Effects in Electronic Structure Calculations

Manthos G. Papadopoulos
National Hellenic Research Foundation

The Linear and Nonlinear Optical Properties of a Series of Derivatives Involving One or More Noble Gas Atoms

5^th Session

                                         Session Chairman:           Hongtao Yu
                                                              Jackson State University

Thomas C. Schulthess
Oak Ridge National Laboratory

Self-Interaction Corrected Local Spin Density Calculations in Strongly Correlated Electron Materials

Takahito Nakajima
University of Tokyo

Large-Scale Molecular Theory

6^th Session

                                         Session Chairman: Fillmore Freeman
                                                      University of California, Irvine

Vincent Ortiz
Auburn University

Three Approaches to a Nonlocal, Energy-Dependent Correlation Potential in Electron Propagator Theory

Roberto Cammi
Universita' di Parma

Structure and Properties of Molecular Solutes in Electronic Excited States: a Polarizable Continuum Model Approach Based on the Time Dependent Density Fuctional Theory