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Vibrational Spectroscopy
Gordon Research Conference

Vibrational Structures and Dynamics

Dates

July 17-22, 2016

Location

University of New England
Biddeford, ME

Organizers

Chairs:
Elsa C.Y. Yan & Victor S. Batista

Vice Chairs:
Andrew Orr-Ewing & Nien-Hui Ge

Meeting Description

The 2016 Gordon Research Conference on Vibrational Spectroscopy will focus on using state-of-the-art spectroscopic techniques to understand structure, dynamics and reactivity in a wide range of applications, with emphasis on physico-chemical studies to understand the role of vibrations in molecular dynamics. The topics to be discussed are strongly linked to fundamental studies of molecular structure, dynamics and reactivity in the condensed phase as well as in clusters and interfaces.

A particular emphasis of the 2016 Conference is on the interplay between developments of new spectroscopic techniques and applications to fundamental studies of interfaces and materials of interest in energy and environmental challenges. A working paradigm that many of the conference attendants subscribe to is that vibrational spectroscopy, specifically the type that exploits coherences, provides a powerful tool to elucidate structure/function relations that are otherwise impossible to observe. The conference will continue the tradition of bringing together established and beginning researchers linked by the common thread of vibrational probes. The goal is to give emerging scientists an opportunity to meet with the world's leading experts and integrate theoretical and experimental methods as applied to the study of materials and systems central to outstanding challenges of the 21st century. Retrospective and Prospective Introductory presentations by leading figures will address the origins and recent breakthroughs in Vibrational Spectroscopy and will look forward towards its future evolution.

Related Meeting

This GRC was held in conjunction with the "Vibrational Spectroscopy" Gordon Research Seminar (GRS). Refer to the associated GRS program page for more information.

Contributors

Final Meeting Program

Sunday
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:40 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmVibrational Dynamics in Isolated Molecules and Clusters
Discussion Leader: Mark Johnson (Yale University, USA)
7:40 pm - 8:10 pmGary Douberly (University of Georgia, USA)
"Infrared Spectroscopy of Reactive Intermediates in Helium Nanodroplets"
8:10 pm - 8:20 pmDiscussion
8:20 pm - 8:35 pmSelected from Poster Abstracts: Adam Dunkelberger (U.S. Naval Research Laboratory, USA)
"Transient Infrared Spectroscopy of Vibration-Cavity Polaritons"
8:35 pm - 8:40 pmDiscussion
8:40 pm - 9:10 pmShaul Mukamel (University of California, Irvine, USA)
"Multidimensional Stimulated Raman Spectroscopy of Vibrational Dynamics at Conical Intersections"
9:10 pm - 9:20 pmDiscussion
9:20 pm - 9:30 pmGeneral Discussion: Prospective-Vibrational Spectroscopy
Monday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmVibrational Structures and Dynamics at Interfaces
Discussion Leaders: Dennis Hore (University of Victoria, Canada) and Aaron Massari (University of Minnesota, Twin Cities, USA)
9:00 am - 9:30 amAlex Benderskii (University of Southern California, USA)
"Aqueous Interfaces as Seen by Different Vibrational Modes of Water"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amEric Tyrode (KTH Royal Institute of Technology, Sweden)
"New Insights into the Specific Adsorption of Monovalent Ions to Negatively Charged Interfaces: A Vibrational Sum Frequency Spectroscopy Study"
10:10 am - 10:20 amDiscussion
10:20 am - 10:45 amCoffee Break
10:45 am - 11:15 amTamar Seideman (Northwestern University, USA)
"Electron-Triggered, Ultrafast Vibrations at Surfaces"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amEric Borguet (Temple University, USA)
"Ultrabroadband Vibrational Spectroscopy and Ultrafast Dynamics of Aqueous/Solid Interfaces"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:30 pmPoster Previews
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
3:00 pm - 4:00 pmPower Hour
The GRC Power Hour is an optional informal gathering open to all meeting participants. It is designed to help address the challenges women face in science and support the professional growth of women in our communities by providing an open forum for discussion and mentoring.
Organizer: Elsa Yan (Yale University, USA)
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmEnergy and Materials: Simulations, Theory, and Experiments of Vibrational Dynamics
Discussion Leader: Gerhard Schwaab (Ruhr University Bochum, Germany)
7:30 pm - 8:00 pmMunira Khalil (University of Washington, USA)
"Correlating Vibrational and Electronic Motions in Solution Using Two-Dimensional Vibrational-Electronic Spectroscopies"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:25 pmSelected from Poster Abstracts: Luis Velarde (University at Buffalo, USA)
"Unraveling the Entangled Electronic and Structural Landscape at Interfaces: New Insights from Doubly-Resonant SFG Spectroscopy"
8:25 pm - 8:30 pmDiscussion
8:30 pm - 9:00 pmCarlos Silva (Université de Montréal, Canada)
"Excitonic Processes in Polymeric Semiconductors: Electron-Vibration Coupling and the Role of Solid-State Microstructure"
9:00 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion: Prospective-Vibrational Spectroscopy
Tuesday
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmUltrafast Vibrational Dynamics and Energy Transfer
Discussion Leaders: F. Fleming Crim (University of Wisconsin-Madison, USA) and Arthur Utz (Tufts University, USA)
9:00 am - 9:30 amJahan Dawlaty (University of Southern California, USA)
"Hydrogen Bonding and Proton Transfer in Excited State Redox Reactions Relevant for Light Harvesting"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amPhilipp Kukura (University of Oxford, United Kingdom)
"Monitoring Energy Flow in Molecules with Coherent Vibronic Spectroscopy"
10:10 am - 10:20 amDiscussion
10:20 am - 10:45 amCoffee Break
10:45 am - 11:15 amJulia Weinstein (University of Sheffield, United Kingdom)
"Directing Photoinduced Processes in Solution with Mode-Specific Infrared Excitation"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amErik Nibbering (Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy (MBI), Germany)
"Photoacids as a Tool to Study Transient Hydrogen Bond Structure and Aqueous Proton Transport"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:30 pmPoster Previews
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmTheory and Computation of Vibrational Structures and Dynamics
Discussion Leader: Ned Sibert (University of Wisconsin-Madison, USA)
7:30 pm - 8:00 pmMarie-Pierre Gaigeot (Université d'Evry Val-d'Essonne, France)
"Vibrational Spectroscopy with Ab Initio Molecular Dynamics Simulations: From Gas Phase to Solid-Liquid Interfaces"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:25 pmSelected from Poster Abstracts: Sandra Luber (University of Zurich, Switzerland)
"Novel Approaches for Vibrational Spectroscopy from Density Functional Theory-Based Molecular Dynamics"
8:25 pm - 8:30 pmDiscussion
8:30 pm - 9:00 pmFrancesco Paesani (University of California, San Diego, USA)
"Dissecting Vibrational Spectra from Many-Body Molecular Dynamics Simulations"
9:00 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion: Prospective-Vibrational Spectroscopy
Wednesday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmVibrational Structures and Dynamics of Biomacromolecules
Discussion Leaders: James Patterson (Brigham Young University, USA) and Lauren Webb (University of Texas at Austin, USA)
9:00 am - 9:30 amBridgette Barry (Georgia Institute of Technology, USA)
"Vibrational Spectroscopy as a Probe of Proton Coupled Electron Transfer in Enzymes and Biomimetics"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amChong Fang (Oregon State University, USA)
"Developing Femtosecond Raman Spectroscopy to Elucidate Photochemistry of Fluorescent Protein Biosensors"
10:10 am - 10:20 amDiscussion
10:20 am - 10:45 amCoffee Break
10:45 am - 11:15 amSusan Quinn (University College Dublin, Ireland)
"Monitoring Ultrafast Dynamics in DNA Crystals Using Transient Infrared Spectroscopy"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amChris Cheatum (University of Iowa, USA)
"Enzyme Dynamics and Their Role in Enzyme-Catalyzed Reactions"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:30 pmPoster Previews
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
7:30 pm - 9:30 pmChiral Vibrational Structures and Dynamics
Discussion Leader: Hongfei Wang (Pacific Northwest National Laboratory, USA)
7:30 pm - 8:00 pmYunjie Xu (University of Alberta, Canada)
"Chiroptical Signatures in the Finger Print Region: Chiral Hydration Clusters in Water"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:25 pmSelected from Poster Abstracts: Mario Gonzalez Jimenez (University of Glasgow, United Kingdom)
"Terahertz Spectroscopy of DNA in Aqueous Solution"
8:25 pm - 8:30 pmDiscussion
8:30 pm - 9:00 pmWei Zhuang (Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, China)
"Towards Understanding Ion Effect on Water Dynamics by Vibrational Spectroscopy and Theoretical Modeling"
9:00 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion: Prospective-Vibrational Spectroscopy
Thursday
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmEnergy and Materials: Vibrational Dynamics
Discussion Leaders: Tim Lian (Emory University, USA) and Mary Jane Shultz (Tufts University, USA)
9:00 am - 9:30 amJohn Asbury (Pennsylvania State University, USA)
"Ultrafast Vibrational Spectroscopy of Singlet Fission and Charge Generation in Organic Electronic Materials"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amArt Bragg (Johns Hopkins University, USA)
"Structure and Dynamics of Localized Excited-States in Conjugated Polymers and Materials"
10:10 am - 10:20 amDiscussion
10:20 am - 10:45 amCoffee Break
10:45 am - 11:15 amEtienne Garand (University of Wisconsin-Madison, USA)
"Probing Catalytic Reaction Intermediates with Cold Ion Vibrational Spectroscopy"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amJaime Stearns (Air Force Research Laboratory, USA)
"Vibrational Spectroscopy of Gas-Phase Ionic Liquids"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:30 pmPoster Previews
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 6:00 pmPoster Session
6:00 pmDinner
7:30 pm - 9:30 pmGas Phase and Atmospheric Vibrational Dynamics
Discussion Leader: Franz Geiger (Northwestern University, USA)
7:30 pm - 8:00 pmTim Zwier (Purdue University, USA)
"Single-Conformation Vibrational Spectroscopy of Neutrals, Radicals, and Ions"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:25 pmSelected from Poster Abstracts: Li Fu (Pacific Northwest National Laboratory, USA)
"Chiral-Selective Adsorption and Reaction of Terpene at Interfaces"
8:25 pm - 8:30 pmDiscussion
8:30 pm - 9:00 pmMarsha Lester (University of Pennsylvania, USA)
"Hydrogen Transfer Reactions in Atmospheric Chemistry"
9:00 pm - 9:10 pmDiscussion
9:10 pm - 9:30 pmGeneral Discussion: Prospective-Vibrational Spectroscopy
Friday
7:30 am - 8:30 amBreakfast
9:00 amDeparture

This material is based upon work supported by the Air Force Office of Scientific Research under award number FA9550-16-1-0123. Any opinions, finding, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the United States Air Force.

This material is based upon work supported by the U.S. Department of Energy, Office of Science. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.
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