PHYS Symposia at the Fall 2013 ACS National
Meeting
in Indianapolis, Indiana
Program Chair: Prof. Joel Bowman
The Physical Chemistry Division is pleased to sponsor the following symposia at the upcoming ACS National Meeting, September 8-12, in Indianapolis. The complete symposium schedules are available on the ACS website here.
PHYSICAL CHEMISTRY OF SOLAR ENERGY CONVERSION
Solar energy conversion remains one of the most important scientific
challenges. The overall solar-to-electricity and solar-to-fuel conversion
processes involve many elementary steps, such as exciton dynamics, energy
transfer, electron transfer, charge transport, and multi-electron,
multi-proton chemical reactions. Fundamental understanding of these processes
is essential to the design and improvement of existing solar energy conversion
devices, as well as to the development of new and revolutionary concepts. Many
of these processes occur in novel molecular assemblies, nano-structures, and
hybrid materials. Their understanding will require state-of-the art
experimental and theoretical tools in physical chemistry. This symposium will
bring together experimental and theoretical physical chemists who are
investigating various fundamental processes involved in solar energy
conversion. It will provide a forum for discussing the latest scientific
discovery and showcase various solar-energy conversion related physical
chemistry research areas.
Tim Lian, Emory University, tlian@emory.edu
Brian Dyer, Emory University, briandyer@emory.edu
CHEMISTRY AT THE SPACE-TIME LIMIT
This symposium aims to bring together leading efforts in pushing the horizon
of joint space-time resolution of relevance to chemistry. Multiple approaches
are pursued to see chemistry in the act, in real-time, and with molecular or
sub-molecular spatial resolution by employing multi-dimensional (space, time,
energy, momentum) measurement techniques. This is an active field that is
growing with the advancement of enabling tools and theory. The methods
invariably combine ultrafast laser methodologies with x-ray or electron
probing and imaging, and novel approaches in nonlinear optical, nano-optical
and scan-probe microscopies. The theoretical contributions focus on
single-electron transport, collective plasmonic response, and nonlinear
spectroscopy and scattering. A tutorial session to serve students and the
broader public will be included
Vartkess A. Apkarian, University of Califonria, Irvine, aapkaria@uci.edu
Hrvoje Petek, University of Pittsburgh, petek@pitt.edu
COARSE-GRAINING AND MULTISCALE MODELING
The challenge in investigating the properties of complex fluids, important in
many relevant applications in biology and engineering, is their development
over a large range of length- and time-scales. This symposium focuses on both
fundamental and theoretical approaches that bridge different length- and
time-scales in complex systems, as well as on novel computational approaches
developed to speed up simulations through coarse-graining and multiscale
modeling. Fundamental theories for the structure and dynamics of complex
systems have a long and illustrious history. Recent years have witnessed the
development of numerous coarse-graining approaches to simulate both synthetic
and biological systems. Theory is guiding the choice of the variables to
coarse-grain and the methodology of coarse- graining. The goal of this
symposium is to showcase the state-of-the-art progress in this rapidly
evolving field, and to encourage discussion among the scientists working on
theoretical approaches that bridge length- and time-scales for the structure
and dynamics of complex macromolecular systems as well as coarse-graining
methods and their applications.
Marina G. Guenza, University of Oregon, mguenza@uoregon.edu
Barbara Capone, University of Vienna, barbara.capone@univie.ac.at
ELECTROSTATICS AND POLARIZATION EFFECTS IN BIOPHYSICAL CHEMISTRY: IN SILICO, IN VITRO, AND IN VIVO
Electrostatic forces are crucial for many key biochemical processes. For
example all energy transduction processes, such as catalysis, proton
transport, electron transfer and ion homeostasis involve electrostatic
interactions. Similarly, all salt and pH-dependent processes are mostly driven
by electrostatics. The goal of this symposium is to bring together wet- and
dry-lab researchers with common interests in understanding the electrostatic
effects in biological macromolecules and to forge new collaborations or
strengthen ongoing collaborations between investigators. Presentations that
focus on utilizing and developing different experimental and computational
methods will reveal the strengths and weaknesses of these approaches and will
contribute to further improvements. The symposium aims to identify important
new questions for which experiment is necessary for physical insight, to guide
extension of theoretical and computational models, and to provide quantitative
data for benchmark of models.
Emil Alexov, Clemson University, ealexov@clemson.edu
Ray Luo, University of California, Irvine, ray.luo@uci.edu
MATERIALS AND MECHANISMS FOR EFFICIENT LIGHTING
About 20% of our electrical energy is consumed by lighting. Solid-state
lighting (SSL), based on semiconductor light-emitting diodes (LEDs) or organic
light-emitting diodes (OLED), has the potential for greatly increasing the
efficiency with which we light our homes and offices. The first commercial SSL
products for general illumination are now appearing. However, there is still
much room for improvements and innovations in the materials, energy transfer
mechanisms, and architectures for solid-state lighting. This symposium will
include topics in SSL that are ripe for contributions from the Physical
Chemistry community. For example, new phosphor materials, and potentially
other novel wavelength down-converters such as quantum dots, are needed for
efficient production of full-spectrum light by wavelength conversion from
primary LED or OLED emitters. Novel SSL architectures could enable more
efficient emitters, control of spatial and spectral emission properties, and
improved light extraction, beyond the present SSL designs.
Mike Coltrin, Sandia National Labs, mecoltr@sandia.gov
Mark Thompson, University of Southern California, met@usc.edu
,
CHEMICAL FRONTIERS IN SOLAR SYSTEM EXPLORATION
This symposium focuses on the broad interplay between space missions,
telescopic observations, laboratory spectroscopy, theoretical investigations,
and fundamental laboratory studies on molecular processes, which contribute to
the chemical formation and evolution of distinct bodies in our Solar System.
Topics will include the evolution of atmospheres of planets and their moons
via gas-phase neutral and ion chemistry, surface chemistry induced by
energetic photons and charged particles, spectroscopy of exotic compounds and
surface ice spectroscopy, state-of-the-art analytical tools to derive the
composition of meteorites, interplanetary and cometary dust, and guiding and
interpretive theoretical computations and models. This symposium will bring
together communities focused on space missions and terrestrial astronomical
observations, with atmospheric modelers, quantum chemists, kineticists, and
dynamicists, so that these communities can develop a common language and work
together to identify the chemical frontiers that must be addressed and the
approaches best suited to meet these challenges.
Ralf Kaiser, University of Hawaii, ralfk@hawaii.edu
Nadia Balucani, University of Perugia, Italy, nadia.balucani_at_unipg.it
THEORY AND EXPERIMENT ON WATER AND HYDRATION
The abundance of water in nature, its function as a universal solvent, and its
role in many chemical, material, and biological processes, is the driving
force behind the need to understand its properties and behavior under
different conditions and its function in different environments. The symposium
aims at capturing recent experimental and theoretical advances in the fields
of water clusters, aqueous interfaces, ions in water, water in biological
systems, the structure and H-bond dynamics of liquid water, the development of
interaction potentials (from classical to quantum) for aqueous solutions and
the electronic structure of aqueous systems.
Sotiris Xantheas, PNNL, sotiris.xantheas@pnnl.gov
Richard Saykally, UC Berkeley, saykally@berkeley.edu
QUANTUM MECHANICS IN MANY DIMENSIONS
The quantum N-body problem at the core of chemical theory has an exponential
complexity with the number of degrees of freedom. Hence all areas of
first-principles chemical simulation must deal with the "curse of
dimensionality" that limits the description of quantum effects to relatively
simple systems. Several approaches designed to break the curse (Monte-Carlo,
many-body expansion, tensor decomposition) have evolved in each domain of
chemical theory, yet there are strong similarities between the seemingly
domain-specific techniques. This symposium will bring together researchers
from several domains of chemical theory (electronic structure, vibrational
structure, dynamics) as well as related fields (physics, mathematics) in an
attempt to identify and exploit the common threads of inquiry across the
disciplines.
Edward Valeev, Virginia Tech, evaleev@vt.edu
Physical Chemistry Symposium Workshop for Undergraduate Chemistry Majors
The Workshop for Undergraduate Chemistry Majors is targeted for current
junior
chemistry majors, who will be seniors at the time of the Philadelphia
meeting. Up
to 25 outstanding undergraduate chemistry students have been selected for a
series
of undergraduate-focused talks and social events during the Indianapolis
meeting. In addition, they will be expected to present posters on their
research
as part of the PHYS poster session.
The
application deadline has passed, but we encourage attendance at the
workshop by all interested participants.
Carol Parish, University of Richmond, PHYSworkshop@richmond.edu
Postdoctoral Research Awards
The PHYS Division will highlight leading research by postdoctoral fellows at the Fall National ACS meeting in Philadelphia through a series of special awards. Awardees will give oral presentations in a PHYS symposium and attend the PHYS executive-committee dinner. The deadline for applications has already passed, and selections will be announced by May 2012.
Physical Chemistry Poster Session
Contributions from all areas of physical chemistry are highly encouraged
for the poster session to be held on Wednesday evening, September 11, 2013.
At the meeting in Indianapolis, IN, several awards with monetary prizes will
be awarded for student posters. To be eligible for the awards, the
presenting author must be a graduate or undergraduate student at the time
of the poster presentation.
Joel Bowman, Emory University, jmbowma@emory.edu