14th ICQC

SCIENTIFIC PROGRAM

All lectures will be held in Macky Auditorium.

Monday, June 25

17:30 - 18:00 Introduction and Awards
18:00 - 19:00

W. Carl Lineberger
"Anion Photoelectron Spectroscopy: A Collaborative Playground for Theory and Experiment"

Tuesday, June 26

9:00 - 9:40 Jürgen Gauss
"Multireference Coupled-Cluster Theory: Recent Developments and Challenges"
9:40 - 10:20 Jean-Luc Brédas
"Theoretical Investigations of the Electronic and Optical Processes in Organic Solar Cells"
10:20 - 10:40 BREAK
10:40 - 11:20 Krishnan Raghavachari
"Towards Accurate Electronic Structure Methods for Large Molecules"
11:20 - 12:00 Kim Baldridge
"First-Principles Prediction of Electron Transport and Optical Properties of Curved Aromatics"
14:00 - 16:00 POSTER SESSION I
Millenium Harvest House
16:00 - 18:00 POSTER SESSION II
Millenium Harvest House
20:00 - 20:40 Gustavo Scuseria
"Symmetry Breaking and Restoration"
20:40 - 21:20 Pekka Pyykkö
"Chemical Bonds to Heavy Metals"

Wednesday, June 27

9:00 - 9:40 Garnet K.-L. Chan
"From Tensor Networks to Quantum Embedding Theories of Strong Correlation"
9:40 - 10:20 Giulia Galli
"First Principle Calculations of Excited State Properties of Solids and Nanostructures: Applications to Materials for Energy"
10:20 - 10:40 BREAK
10:40 - 11:20 Andreas Köhn
"Use of Automated Implementation Strategies at the Frontiers of Electronic Structure Theory
11:20 - 12:00 James T. Hynes
"On the Mechanism of Water Oxidation by the Blue Dimer"
14:00 - 16:00 POSTER SESSION III
Millenium Harvest House
16:00 - 18:00 POSTER SESSION IV
Millenium Harvest House
20:00 - 20:40 Seiichiro Ten-no
"Recent Advances in Explicitly Correlated Electronic Structure Theory using Cusp Conditions"
20:40 - 21:20 Barbara Kirchner
"Electronic Structure and Liquid State"

Thursday, June 28

9:00 - 9:40 David A. Mazziotti
"Many-Electron Correlation from Two-Electron Reduced Density Matrices"
9:40 - 10:20 Vlasta Bonacić-Koutecký
"Ultrafast Nonadiabatic Dynamics in Complex Systems and its Control by Laser Fields"
10:20 - 10:40 BREAK
10:40 - 11:20 Edward F. Valeev
"Low-Rank and Multiresolution Explicitly Correlated Wave Functions"
11:20 - 12:00 Weston Thatcher Borden
"Why Does Cyclobutane-1,2,3,4-tetraone Have a Triplet Ground State?"

Friday, June 29

9:00 - 9:40 Frank E. Harris
"Fully Correlated Wavefunctions for Three- and Four-Body Systems"
9:40 - 10:20 Abraham Nitzan
"Redox Molecular Junctions: Properties and Functionalities"
10:20 - 10:40 BREAK
10:40 - 11:20 Krzysztof Szalewicz
"Density Functional Theory Overcomes the Failure of Predicting Intermolecular Interaction Energies"
11:20 - 12:00 Eluvathingal D. Jemmis
"A Structural Chemistry for Boron"
14:00 - 14:40 Takeshi Yanai
"Density Matrix Renormalization Group and Associated Dynamic Correlation Methods: Theory and Applications"
14:40 - 15:20 Yun-Dong Wu
"Bridge Theory with Experiments in Catalysis"
15:20 - 15:40 BREAK
15:40 - 16:20 Shuhua Li
"Efficient Coupled Cluster Methods for Potential Energy Surfaces"
16:20 - 17:00 Jin Yong Lee
"Design Strategy for Molecular Magnetic Materials Based on Computational Studies"

Saturday, June 30

9:00 - 9:40 Ron Shepard
"Recent Developments with the Graphically Contracted Function Electronic Structure Method"
9:40 - 10:20 Shigehiko Hayashi
"Hybrid Molecular Simulations toward Understanding Enzymatic Catalysis"
10:20 - 10:40 BREAK
10:40 - 11:20 Wim Klopper
"Explicitly Correlated Wave Functions: Recent Advances and Perspectives"
11:20 - 12:00 Mel Levy
"New Variational Principles in Density-Functional Theory for Ground States and Excited States and for Degeneracies and Non-Degeneracies"
12:00 - 12:30 Closing Ceremony