Basic Research Innovation and Collaboration Center (BRICC) 4075 Wilson Boulevard, Suite 350 Arlington, VA 22203 AGENDA Day 1 – Monday, May 19, 2014 Time Title of Project Speaker 7:00-8:25 Registration 8:25-8:30 Opening Remarks Michael Berman, Air Force Office of Scientific Research 8:30-9:05 Organizational Stability, Structural Fluxionality, and MachineLike Response of Nanostructures Uzi Landman, Georgia Institute of Technology 9:05-9:40 On the Evolution from Non‐plasmonic Metal Nanoclusters to Plasmonic Nanocrystals Rongchao Jin, Carnegie Mellon University 9:40-10:15 Towards Understanding Endothermic Fuels: Probing Pyrolysis and Electron Impact Ionization Fragmentation Reactions from Supercritical Hexane and Dodecane Christopher Bunker, Air Force Research Laboratory 10:15-10:45 BREAK 10:45-11:20 Catalyst and Fuel Interactions to Optimize Endothermic Cooling Scott Anderson, University of Utah 11:20-11:55 Doped Metal Clusters on Oxides for Catalytic Dehydrogenation Anastassia Alexandrova, of Alkanes: Realistic Modeling and Chemical Bonding Insight. University of California, Los Angeles 11:55-12:30 Ambient Ionization Mass Spectrometry: Application to the Analysis of Surfaces of Coked Catalysts 12:30-1:55 Richard Zare, Stanford University LUNCH 2:00-2:35 Direct Molecular Simulation of Nonequilibrium Reacting Gases Thomas Schwartzentruber, University of Minnesota 2:35-3:15 Ab Initio Dynamics of Energy Transfer in Photo-‐‐Excited Methyl-‐‐Benzyl-‐‐Benzaldehyde Joseph Subotnik, University of Pennsylvania 3:15-3:45 BREAK 3:15-4:10 The Bulk Photovoltaic Effect in Polar Oxides for Robust and Efficient Solar Energy Harvesting Andrew Rappe, University of Pennsylvania 4:10-4:45 The First Hole Transfer in Photocatalytic Water Oxidation by Transient Spectroscopy Tanja Cuk, University of California, Berkeley 4:45 ADJOURN FOR THE DAY 5:00-7:00 DINNER (NOT PROVIDED) Basic Research Innovation and Collaboration Center (BRICC) 4075 Wilson Boulevard, Suite 350 Arlington, VA 22203 AGENDA Day 2 – Tuesday, May 20, 2014 Time Title of Project Speaker 7:30-8:30 Registration 8:30-9:05 Reactivity of Transient Species in Water Splitting and CO2 Reduction Using Cryogenic Ion Spectroscopy Mark Johnson, Yale University 9:05-9:40 Accurate and Systematically Improvable Density Functional Theory Embedding for Correlated Wavefunctions Thomas Miller, California Institute of Technology 9:40-10:15 Precision Gas-‐‐Surface Scattering and Imaging Studies of Complex Interfaces Steven Sibener, University of Chicago 10:15-10:45 BREAK 10:45-11:20 Novel Catalytic Mechanisms for the Chemical Reduction of Carbon Dioxide to Energy-Dense Liquids (MURI) Andrew Bocarsly, Princeton University 11:20-11:55 First Principles Quantum Simulations of the Essential Steps in (Photo)Electrocatalysis Emily Carter, Princeton University Inverse Design, Development and Characterization of Catalytic Adsorbates at Semiconductor/Liquid Interfaces Victor Batista, Yale University 11:55-12:30 12:30-2:00 LUNCH 2:00-2:35 Entanglement and Correlation between Electronic Domains of Molecules and Materials David Mazziotti, University of Chicago 2:35-3:15 Excited State Behavior of Chalcogenide-Capped Semiconductor Quantum Dots Gordana Dukovic, University of Colorado 3:15-3:35 3:35-4:15 BREAK Program Status Update Michael Berman, Air Force Office of Scientific Research 4:15-6:00 POSTER SESSION 6:00 ADJOURN FOR THE DAY Basic Research Innovation and Collaboration Center (BRICC) 4075 Wilson Boulevard, Suite 350 Arlington, VA 22203 AGENDA Day 3 – Wednesday, May 21, 2014 Time Title of Project Speaker 7:30-8:30 Registration 8:30-9:05 Exciton Transport in Carbon Nanotube Photovoltaic Films using 2D White-Light Spectroscopy Martin Zanni, University of Wisconsin 9:05-9:40 New Approaches to Photocatalytic and Electrocatalytic Reduction of CO2 Robert Hamers, University of Wisconsin 9:40-10:15 Chemical Dynamics and Structures on Metal Nanomaterial Surfaces Junrong Zheng, Rice University 10:15-10:45 BREAK 10:45-11:20 A Case for Staying Home: What We Learned about Plasma Chemistry during the AF Travel Ban A. A. Viggiano, Air Force Research Laboratory 11:20-11:55 Synthesis and Spectroscopy of Ultra-Small Ligand-Coated Nanoclusters Michael Duncan, University of Georgia Toward the Development of Aluminum Cluster-Containing Materials for Propulsion Applications Kit Bowen, Johns Hopkins University 11:55-12:30 12:30-1:30 LUNCH 1:30-2:05 Hyperthermal Collision Dynamics at the Gas-RTIL Interface and Photoelectron Imaging Microscopy of Plasmonic Nanoparticles 2:05-2:40 Photoelectron Spectroscopy, Dynamics and Thermochemistry W. Carl Lineberger, of Nitrogen-rich Cyclic Anions and Combustion Intermediates University of Colorado 2:40-3:00 David Nesbitt, University of Colorado BREAK 3:00-3:35 Molecular Beam Studies of Jet Fuel Surrogates using Liquid Microjets Gilbert Nathanson, University of Wisconsin 3:35-4:10 A Computational Study of the Dynamics, Structure and Thermodynamic Properties of Solutions of Ionic Liquids and Dissolved Solutes Edward Maginn, University of Notre Dame 4:10 CLOSING REMARKS/MEETING ADJORNED