Gordon Research Conferences
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Conference Program
 
Atomic & Molecular Interactions
Energy Conversion Processes and Chemical Reactions in Clusters, Solution, Surfaces, Interfaces, and Biological Systems
(This meeting is currently known as "Molecular Interactions & Dynamics")
July 13-18, 2014
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 and reactions occurring in isolated molecules, clusters, solution, surfaces, interfaces, and biological 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 theory and experiment and the dialogue it stimulates. The program for the 2014 conference continues these traditions. At the 2014 AMI GRC, there will be talks in several broadly defined and partially overlapping areas:

  • Combustion and renewable energy
  • Interactions and reactions in clusters and molecules
  • Radicals and hydrated electrons
  • Interactions and reactions at surfaces and interfaces
  • Dynamics and reactions in the condensed phase
  • Photochemistry and nonadiabatic dynamics
  • Interactions and dynamics in biological systems

These topics touch on a wide range of disciplines, grounded in physical chemistry, but reaching into molecular physics, biology, and energy-related science, to name a few. The Conference will bring together investigators who are at the forefront of the field, and it 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 wide-ranging research areas represented.


Contributors

SUNDAY
2:00 pm - 9:00 pmArrival and Check-in
6:00 pmDinner
7:30 pm - 7:35 pmWelcome / Introductory Comments by GRC Site Staff
7:40 pm - 9:30 pmEnergetic Processes and Renewable Energy
Discussion Leader: Bruce Kay (Pacific Northwest National Laboratory)
7:35 pm - 8:05 pmDonald Truhlar (University of Minnesota)
"Advances in Chemical Reaction Kinetics, Including Multiple Reaction Paths and Anharmonicity"
8:05 pm - 8:15 pmDiscussion
8:15 pm - 8:45 pmDavid Chandler (Sandia National Laboratories)
"Ion Imaging Study of Collision Induced Dissociation: The Determination of the Energy Transfer Function"
8:45 pm - 8:55 pmDiscussion
8:55 pm - 9:25 pmEmily Carter (Princeton University)
"First Principles Quantum Simulations of Renewable Energy Phenomena"
9:25 pm - 9:30 pmDiscussion
9:30 pmOpening Reception
MONDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmRadicals and Hydrated Electrons
Discussion Leader: Hanna Reissler (University of Southern California)
9:00 am - 9:30 amDavid Bartels (University of Notre Dame, Radiation Laboratory)
"Solvated Electron Reactions: Exploring the Phase Diagram"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amPavel Jungwirth (Academy of Sciences of the Czech Republic)
"Ab Initio Molecular Dynamics of the Hydrated Electron"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amBern Kohler (Montana State University)
"On the Road to Nowhere: The Ultrafast Events that Inhibit DNA Photodamage"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amDavid Manolopoulos (University of Oxford)
"Radical Pair Recombination Reactions"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmJan Verlet (Durham University)
"Ultrafast Non-Adiabatic Dynamics of Electron Attachment Probed by Photoelectron Imaging of Radical Anions"
12:20 pm - 12:30 pmDiscussion
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 pmDynamics and Reactions in the Condensed Phase
Discussion Leader: Lyudmila Slipchenko (Purdue University)
7:30 pm - 8:00 pmMichael Fayer (Stanford University)
"Length Scales and Liquid Dynamics"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmJohn Herbert (Ohio State University)
"Does Fragment-Based Quantum Chemistry Actually Work?"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmWard Thompson (University of Kansas)
"Dynamics of Nanoconfined Liquids"
9:20 pm - 9:30 pmDiscussion
9:30 pm Poster Session
TUESDAY
7:30 am - 8:30 amBreakfast
8:30 amGroup Photo
9:00 am - 12:30 pmInteractions and Dynamics in Clusters and Molecules
Discussion Leader: Arthur Suits (Wayne State University)
9:00 am - 9:30 amAnne McCoy (Ohio State University)
"Spectral Signatures of Large Amplitude Vibrations in Hydrogen-Bonded and Protonated Systems. What Do the Intensities Tell Us About Structure Bonding?"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amMark Johnson (Yale University)
"Structural Motifs in Ionic Liquids from the Bottom Up Using Cryogenic Vibrational Spectroscopy"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amWilliam McCurdy (University of California at Davis)
"Electron Driven Chemistry: The Nonadiabatic Dynamics of Dissociative Attachment of Electrons to Polyatomic Molecules"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amDaniel Neumark (University of California at Berkeley)
"Slow-Electron Velocity-Map Imaging of Cryogenically Cooled Anions"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmRyan Steele (University of Utah)
"Ab Initio Approaches to Spectroscopy and Dynamics"
12:20 pm - 12:30 pmDiscussion
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 pmPhotochemistry and Nonadiabatic Dynamics
Discussion Leader: Spiridoula Matsika (Temple University)
7:30 pm - 8:00 pmNancy Levinger (Colorado State University)
"Photoacids in Confiment: Location, Location, Location"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmJoseph Subotnik (University of Pennsylvania)
"Quick and Dirty Approaches for Understanding Photoinduced Nonadiabatic Dynamics"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmGreg Engel (University of Chicago)
"Capturing Molecular Dynamics with Femtosecond Chiral 2D Spectroscopy"
9:20 pm - 9:30 pmDiscussion
9:30 pm Poster Session
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmInteractions and Reactions at Surfaces and Interfaces
Discussion Leader: Richard Loomis (Washington University in St. Louis)
9:00 am - 9:30 amAnastassia Alexandrova (University of California at Los Angeles)
"Surface-Deposited Clusters for Catalysis Through the Prism of Chemical Bonding"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amTimothy Minton (Montana State University)
"Inelastic and Reactive Scattering Dynamics of Hyperthermal O Atoms on Carbon at High Temperature"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:15 amCharles Sykes (Tufts University)
"Electron Emission from Atomically Precise 2D Radioactive Films"
11:15 am - 11:25 amDiscussion
11:25 am - 11:55 amHrvoje Petek (University of Pittsburgh)
"Strongly Correlated Molecular Interactions with One-Dimensional Surfaces"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmMaricris Mayes (University of Massachusetts Dartmouth)
"Towards Large-Scale Ab Initio Calculations Using Fragment Molecular Orbital Method"
12:20 pm - 12:30 pmDiscussion
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 pmInteractions and Reactions in Molecular Systems
Discussion Leader: Millard Alexander (University of Maryland)
7:30 pm - 8:00 pmMichael Duncan (University of Georgia)
"Selected Ion Infrared Spectroscopy of Cation-Molecular Interactions"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmKrishnan Raghavachari (Indiana University)
"Towards Accurate Electronic Structure Methods for Large Molecules"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmRobert Continetti (University of California at San Diego)
"Imaging the Dynamics of a Four-Atom Reaction from the Wells to the Barrier: F + H2O -> HF + OH"
9:20 pm - 9:30 pmDiscussion
9:30 pm Poster Session
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmPhotochemistry in Biology and Nanoparticles
Discussion Leader: Todd Martinez (Stanford University)
9:00 am - 9:30 amEmily Weiss (Northwestern University)
"Dynamics of Interfacial Processes Within Organic Molecule-Coated Colloidal Nanoparticles"
9:30 am - 9:40 amDiscussion
9:40 am - 10:10 amChristine Aikens (Kansas State University)
"Photochemistry and Photodynamics in Dihydroindolizines and Gold Nanoparticles"
10:10 am - 10:20 amDiscussion
10:20 amCoffee Break
10:45 am - 11:00 amJosh Layfield (University of Illinois)
"Probing the Changing Electrostatic Environment Along the Catalytic Cycle of Dihydrofolate Reductase Using Nitrile Vibrational Probes"
11:00 am - 11:05 amDiscussion
11:05 am - 11:20 amArthur Bragg (Johns Hopkins University)
"Structural and Solvent Control of Non-Adiabatic Photochemical Bond Formation"
11:20 am - 11:25 amDiscussion
11:25 am - 11:55 amVictor Batista (Yale University)
"Studies of Natural and Artificial Photosynthetic Systems"
11:55 am - 12:05 pmDiscussion
12:05 pm - 12:20 pmJohn Parkhill (University of Notre Dame)
"A Role for Dephasing in Electronic Structure Theory"
12:20 pm - 12:30 pmDiscussion
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 pmInteractions and Dynamics in Biological Systems
Discussion Leader: Marsha Lester (University of Pennsylvania)
7:30 pm - 8:00 pmTimothy Zwier (Purdue University)
"Spectroscopic Probes of Hydrogen-Bonded Networks"
8:00 pm - 8:10 pmDiscussion
8:10 pm - 8:40 pmGeorge Schatz (Northwestern University)
"Understanding DNA Bending in Nucleosomes and Transcription Factors"
8:40 pm - 8:50 pmDiscussion
8:50 pm - 9:20 pmDavid Nesbitt (University of Colorado at Boulder)
"The Molecular Interactions of RNA Folding: A Single Molecule Perspective"
9:20 pm - 9:30 pmDiscussion
9:30 pm Poster Session
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDeparture

This material is based upon work supported by the Department of Energy under Award Number DE-SC0011767.

 
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