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Conference Program
 
Atomic & Molecular Interactions
July 15-20, 2012
Stonehill College
Easton, MA

Related Meeting Information
The Atomic & Molecular Interactions Gordon Research Conference was held in conjunction with the Atomic & Molecular Interactions Gordon Research Seminar. Please refer to the Atomic & Molecular Interactions GRS web page for more information.

The Atomic and Molecular Interactions Gordon Conference is justifiably recognized for its broad scope, touching on interactions occurring in isolated molecules, bimolecular collisions, clusters, aerosols, interfaces, and complex systems. The meeting has traditionally involved scientists engaged in fundamental research in gas and condensed phases and those who apply these concepts to systems of practical chemical and physical interest. A key tradition in this meeting is the strong mix of experiment and theory. The program for 2012 conference continues these traditions. At the 2012 AMI GRC, there will be talks in several broadly defined and partially overlapping areas:

  • Intramolecular and single-collision reaction dynamics
  • Photophysics and photochemistry of excited states
  • Clusters, aerosols and solvation
  • Interactions at interfaces
  • Conformations and folding of large molecules
  • Interactions under extreme conditions of temperature and pressure

These topics touch on a wide range of disciplines, grounded in physical chemistry, but reaching into biology, molecular physics, energy-related science, and astrochemistry, to name a few. The Conference will bring together a collection of investigators who are at the forefront of the field, and will provide opportunities for junior scientists and graduate students to present their work in poster format and exchange ideas with leaders in the field. Those wishing to present a poster should submit a brief abstract to the conference vice-chair. Some poster presenters will be selected for short talks. The collegial atmosphere of this Conference, with programmed discussion sessions as well as opportunities for informal gatherings in the afternoons and evenings, provides an avenue for scientists from different disciplines to brainstorm and promotes cross-disciplinary collaborations in the various research areas represented.


Contributors

SUNDAY
2:00 pm - 9:00 pmArrival and Check-in (Office Closed 6:00 pm - 7:00 pm)
6:00 pmDinner
7:30 pm - 7:35 pmWelcome / Introductory Comments by GRC Site Staff
7:35 pm - 9:30 pmSingle-collision and Intramolecular Dynamics I
Discussion Leader: Timothy Zwier (Purdue)
7:35 pm - 8:05 pmArthur Suits (Wayne State)
"What don't we know and when didn't we know it: Are roaming reactions the Tectonic Plates of our field?"
8:05 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmKopin Liu (IAMS, Academia Sinica)
"Controlling a chemical reaction by mode-, bond-excitations, and reactant alignment"
8:45 pm - 8:55 pmDiscussion
8:55 pm - 9:25 pmLaurie Butler (Univ. Chicago)
"Imaging and Scattering Studies of Radical Intermediates"
9:25 pm - 9:30 pmDiscussion
9:30 pmOpening Reception
MONDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmClusters and Solvation
Discussion Leader: David W. Pratt (Univ. Pittsburgh)
9:00 am - 9:30 amMarsha Lester (Univ. Pennsylvania)
"Dynamical Outcomes of Quenching: Reflections on a Conical Intersection"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amJoel Bowman (Emory)
"Full dimensional ab initio potentials and quantum vibrational dynamics of water clusters and hydrated ions"
10:10 am - 10:20 amDiscussion
10:20 amGroup Photo / Coffee Break
10:45 am - 11:15 amGary Douberly (Univ. Georgia)
"Laser Spectroscopy of Metastable Open-Shell Clusters in Helium Nanodroplets"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amDor Ben-Amotz (Purdue)
"Vibrational spectroscopic detection of water structure changes in hydrophobic hydration shells"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmHot Topic Talk #1: Amir Golan (UC-Berkeley)
"Post-ionization Relaxation in Hydrated Dimethyluracil"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 6:00 pmFree Time
6:00 pmDinner
7:30 pm - 9:30 pmSingle-collision and intramolecular interactions II
Discussion Leader: Takayuki Ebata (Hiroshima Univ.)
7:30 pm - 8:00 pmHanna Reisler (Univ. Southern California)
"Dynamical signatures of isomerization and dissociation in photoinitiated reactions of hydroxyalkyl radicals"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmMartin Head-Gordon (UC-Berkeley)
"Energy decomposition analysis methods for intermolecular interactions: theory and applications"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmAndrew Orr-Ewing (Univ. Bristol, UK)
"Chemical reaction dynamics from isolated collision to liquid solutions"
9:20 pm - 9:30 pmDiscussion
9:30 pmPoster Session I
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmExcited State interactions
Discussion Leader: Wolfgang Domcke (Technical Univ. Munich)
9:00 am - 9:30 amSamuel Leutwyler (Univ. Berne)
"Excitonic Interactions in Molecular Dimers: Experimental Splittings and Why Ab Initio Calculations Cannot Match Them"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amSpiridoula Matsika (Temple Univ.)
"Non-adiabatic events in interacting chromophores"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amAnne Zehnacker-Rentien (Université Paris XI)
"Stereochemistry effects in the gas-phase photophysics of quinine derivatives"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amTodd Martinez (Stanford)
"New Perspectives in Excited state dynamics"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmHot Topic Talk #2: Nadia Doslic (Boskovic Institute, Croatia)
"Mechanisms of Non-radiative Deactivation in Model Peptides"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 6:00 pmFree Time
6:00 pmDinner
7:30 pm - 9:30 pmCharges and excited states in solution and on ice
Discussion Leader: Sharon Hammes-Schiffer (Penn State)
7:30 pm - 8:00 pmDavid McCamant (Univ. Rochester)
"Ultrafast condensed phase photochemistry probed with femtosecond stimulated Raman spectroscopy"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmDavid VandenBout (Univ. of Texas-Austin)
"Single molecule spectroscopy of chain-chain interactions in conjugated polymers"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmBruce Kay (PNNL)
"Beakers without walls: Using nanoscale amorphous solid films to create and study deeply supercooled liquids"
9:20 pm - 9:30 pmDiscussion
9:30 pmPoster Session II
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmInteractions at Interfaces, Surfaces, and Aerosols
Discussion Leader: David Nesbitt (JILA)
9:00 am - 9:30 amAlec Wodtke (Univ. Gottingen)
"Chemical Dynamics at Surfaces"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amRuth Signorell (Univ. British Columbia)
"Characterization of Clusters and Ultrafine Aerosols by Ultraviolet Photoionization"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amJohn Tully (Yale)
"Excited State Dynamics at Surfaces"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amGil Nathanson (Univ. Wisconsin-Madison)
"Non-Maxwellian Evaporation of Helium from Liquid Hydrocarbons, Ethylene Glycol, and Water"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmHot Topic Talk #3: Joseph Subotnik (Penn)
"Multiple, Consecutive Scattering Events and Curve-Crossings"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 6:00 pmFree Time
6:00 pmDinner
7:00 pm - 7:30 pmBusiness Meeting
Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair
7:30 pm - 9:30 pmConformations and Folding
Discussion Leader: Philippe Dugourd (Univ. Lyon, France)
7:30 pm - 8:00 pmTom Rizzo (EPFL)
"Metastable conformations of electrosprayed peptides revealed by IR and UV spectroscopy"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmWilliam Noid (Penn State)
"Specific and nonspecific effects of glycosylation upon a disordered peptide"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmAshok Deniz (Scripps Research Institute)
"Single-Molecule Dynamics and Binding-Coupled Folding of Intrinsically Disordered Proteins"
9:20 pm - 9:30 pmDiscussion
9:30 pmPoster Session III
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmInteractions under Extreme Conditions
Discussion Leader: Stephen Klippenstein (Argonne)
9:00 am - 9:30 amGerard Meijer (Fritz Haber Institute, Germany)
"Taming Molecular Beams"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amIan R. Sims (Univ. Rennes)
"Experimental investigations of radical-molecule reactions using low temperature supersonic flows"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amCraig Taatjes (Combustion Research Facility)
"Fundamental Autoignition Chemistry at High Pressure"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amTim Strobel (Carnegie Institute)
"Intermolecular Interactions at Extreme Pressures"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmHot Topic Talk #4: Vasilios Stavros (Warwick, UK)
"Pre-biotic earth: Comparing the ultraviolet photostability of azole chromophores"
12:20 pm - 12:30 pmDiscussion
12:30 pmLunch
1:30 pm - 6:00 pmFree Time
6:00 pmDinner
7:30 pm - 9:30 pmLonger (range), shorter (timescales), stronger (fields), weaker (interactions)
Discussion Leader: Martin Quack (ETH-Zurich)
7:30 pm - 8:00 pmKen Jordan (Univ. Pittsburgh)
"On the Role of Long-range Interactions in (H2O)n- Clusters: From Many-body Theory to Model Potentials"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmSteve Leone (UC-Berkeley)
"X-ray investigations of electron dynamics toward the attosecond limit"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmTim Softley (Oxford)
"Sub-Kelvin chemistry using laser-cooled ions"
9:20 pm - 9:30 pmDiscussion
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture

 
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