PHYS Symposia at the Fall 2014 ACS National
Meeting
in San Francisco, California
Program Chair: Prof. Nancy Levinger
The Physical Chemistry Division is pleased to sponsor the following symposia at the upcoming ACS National Meeting, August 10-14, in San Francisco. The complete symposium schedules will soon be available on the ACS website.
THE FUTURE OF COMPUTATIONAL CHEMISTRY
The future of computational chemistry hinges not only on the accuracy of
its underlying models but also on the efficiency and efficacy of its
algorithms and software. In all areas of molecular-level simulation,
including not only traditional chemistry but materials and biomolecular
science as well, recent theoretical advances have yielded unprecedented
levels of accuracy and understanding for a broad array of fundamental
chemical phenomena. However, the concomitant development of new, high-
performance computing architectures - from now-common petascale computers to
highly anticipated exascale systems—presents innumerable challenges for
those implementing new methods in production-level software. This symposium
will bring together experts in quantum chemistry, biomolecular simulation,
and condensed-matter physics to highlight the current state of the art in
both methodology and software design, and to explore paths forward toward
sustainable and extensible codes that can take full advantage of the
ever-changing landscape of cyberinfrastructure.
T. Daniel Crawford, Virginia Tech, crawdad@vt.edu
Theresa Windus, Iowa State University, twindus@iastate.edu
PHYSICAL CHEMISTRY OF IONIC LIQUIDS
From fundamental studies to applications in energy, catalysis and
separations, ionic liquids are permeating all aspects of modern chemistry.
Physical chemistry plays a leading role in understanding chemical
reactivity, relaxation phenomena, structure and interfacial behavior in
these diverse materials. This symposium will present the latest advances in
the physical chemistry of ionic liquids on a range of topics that include
the relationships between ionic liquid structure and physical and transport
properties, volatility and thermal stability, electron transfer, photolysis
and radiolysis, ultrafast to ultra-slow spectroscopy, separations and
solubility, interfaces with bulk and nanomaterials, and catalysis.
Edward W. Castner, Jr., Rutgers University, ed.castner@rutgers.edu
Edward J. Maginn, University of Notre Dame, ed@nd.edu
Claudio J. Margulis, University of Iowa, claudio-margulis@uiowa.edu
James F. Wishart, Brookhaven National Laboratory, wishart@bnl.gov
RENEWABLE ENERGY GENERATION AT THE INTERFACE BETWEEN THEORY AND EXPERIMENT
This symposium is designed to highlight the collaborative efforts of
experimentalists and theoreticians in the area of renewable energy, spark
cross-disciplinary discussions, and explore the relationship between
computation and experiment more deeply. The topics for this symposium
include the following: Artificial Photosynthesis, Proton-Coupled Electron
Transport, Catalysis (water oxidation, carbon dioxide reduction, nitrogen
reduction, and hydrogen generation), and Solar Cells (dye-sensitized solar
cells,
quantum dot solar cells, organic photovoltaics, and new cell
architectures).
Amanda J. Morris, Virginia Tech, ajmorris@vt.edu
James T. Muckerman, Brookhaven National Laboratory, muckerman@bnl.gov
WHAT DOES 20TH CENTURY PHYSICAL CHEMISTRY HAVE TO SAY TO 21ST CENTURY PHYSICAL CHEMISTS?
The 20th century was the great age of physical chemistry. It started with
the first Nobel Prize in Chemistry in 1901 to van't Hoff and continued
right up to the close of the century with Zewail in 1999. Many paradigms
were established for all time—not just for the 20th century. Indeed, for
any field to be dynamic, it needs to both move forward and to remember its
roots. Fortunately, there are many living physical chemists who are
bringing the excitement of these foundational achievements to the current
membership of PHYS. Thus, this symposium will feature many leaders of
physical chemistry
who are truly excited about revisiting the history of physical chemistry in
dynamic ways.
Gary D. Patterson, Carnegie Mellon University, gp9a@andrew.cmu.edu
EXTREME BIOCHEMISTRY FROM SMALL MOLECULES TO LARGE PROTEINS: FORMATION, STABILITY, STRUCTURE AND FUNCTION
The origin and adaptability of life on Earth holds a fascination for most
of us and is a central and compelling field of study for many scientists.
Chemists have been involved in this field in many ways, including
discovering how simple biomolecules, as building blocks for life, can be
generated under prebiotic conditions, and how biomolecular processes can be
adapted to extreme environmental conditions. More broadly, a study of
extremophile biochemistry should, in principle, provide guidelines for the
formation and evolution of life elsewhere, assuming that evolution is a
general principle underlying the development of living systems on other
planets besides Earth. In this symposium, we will combine members of the
astrochemistry community with biochemists and chemists working on the
properties of extremophiles to provide a broad picture of the latest
results and insights into how, under extreme conditions, simple molecules
become more complex, as well as how complex biomolecules (proteins, nucleic
acids, etc.) adapt to inhospitable environments to enable and extend life
in surprising habitats. Topics include interstellar chemistry, prebiotic
terrestrial chemistry, and the properties and structures of extremophile
proteins from extreme thermal, chemical and other challenging
environments. The utilization of these studies to biotech applications will
also be presented.
Yong Ba, California State University at Los Angeles, yba@calstatela.edu
Robert J. Stanley, Temple University, rstanley@temple.edu
Ralf Kaiser, University Hawaii, ralfk@hawaii.edu
FUNDAMENTAL PROCESSES OF ATMOSPHERIC CHEMISTRY
Although several decades of research have greatly advanced our
understanding of the physical chemistry of the atmosphere, there remain
many outstanding research areas that are poorly understood. These questions
include the potential for organic oxidation to recycling radical species,
the chemical mechanisms and kinetics behind the oxidation of organic and
inorganic compounds, gas- particle partitioning of multi-generational
oxidation products, and the potential for compounds in the atmosphere to
affect the radiative balance of the planet through the formation of cloud
and ice condensation nuclei, light scattering of aerosol particles, and
absorption by brown and black carbon. Research approaches into these
problems include ambient observations, laboratory experiments and
theoretical studies. The development of new chemical detectors and in situ
perturbation studies are leading to new measurements and new insights that
are driving the development of models. Recent advances have led to better
predictions of atmospheric chemistry and its effects on the atmosphere’s
radiative properties.
Delphine Farmer, Colorado State University, Delphine.Farmer@colostate.edu
Frank Keutsch, University of Wisconsin, keutsch@chem.wisc.edu
MOLECULAR AND NANOSCOPIC PROBES FOR BIOLOGICAL SYSTEMS
Biological systems are highly heterogeneous and dynamic, and the study of
this topic has a cross- disciplinary impact on physical chemistry,
biophysics, molecular and cell biology, materials science, translational
medicine and multiple engineering fields. Recent developments show the
critical importance of using molecular or nanoscopic probes to study the
structure, diversity and function of various biological entities in cells
or tissues. This symposium will present new advances in this vibrant
research area. In particular, it will bring together experimentalists,
theoreticians, and computational scientists to forge a scientific culture
of fluid exchange of ideas and collaboration across disciplines and among
laboratories.
Bozhi Tian, University of Chicago, btian@uchicago.edu
Chen Yang, Purdue University, yang@purdue.edu
COMPUTATIONAL SPECTROSCOPY
Experiments in spectroscopy have laid the foundation for current
understanding of, for example, the electronic and magnetic properties of
molecules, reactive intermediates, combustion chemistry, materials, and
surface and interfacial chemistry. This Computational Spectroscopy
Symposium will highlight the significant impact that computational
chemistry has made on the interpretation and prediction of spectroscopic
measurements. Since many of the more recent important advances have been
achieved through close collaborations between theorists and
experimentalists, prominent and emerging scientists representing both
theory and experiment will be invited to give talks in areas of electronic,
vibrational, ultrafast, and magnetic resonance spectroscopies of both gas-
and condensed phases.
Caroline Chick Jarrold, Indiana University, cjarrold@indiana.edu
John F. Stanton, University of Texas, jfstanton@mail.utexas.edu
PHOTOINDUCED PROTON TRANSFER IN CHEMISTRY AND BIOLOGY
Proton transfer is one of the most fundamental chemical reactions in
nature. However, understanding the ways in which the environment mediates
proton dynamics remains a fundamental challenge. Excited-state proton
transfer (ESPT), as well as more general photoinduced proton transfer
(PPT), continues to provide a rich vein of new research activity. The range
of systems that has pushed the limits of theory has greatly expanded in the
past decade. The topics cover modern PPT theory, syntheses of novel
photoacids and photobases, and studies of their PPT in a wide array of
systems from gas phase to proteins and DNA. Numerous PPT applications will
be discussed, including the utilization of reversible and irreversible
pH-jumps using transient photoacids and PAGs, and recent advances in the
development optically-active, intramolecular ESPT-based materials. A broad
spectrum of PPT-related problems will bring together the leading
specialists—not only from the world of physical chemistry, but
theoreticians, biochemists, organic and material chemists from all over the
world.
Pi-Tai Chou, National Taiwan University, chop@ntu.edu.tw
Kyril M. Solntsev, Georgia Tech, solntsev@gatech.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 San Francisco
meeting. Up to 25 outstanding undergraduate chemistry students have been
selected for a series of undergraduate-focused talks and social events during
the San Francisco 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 San Francisco 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 2014.
Physical Chemistry Poster Session
Contributions from all areas of physical chemistry are highly encouraged
for the poster session to be held on Wednesday evening, August 13, 2014.
At the meeting in San Francisco, CA, 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.
Nancy Levinger, Colorado State University, levinger@colostate.edu
Call For Papers for Fall 2021
The call for papers for the 262nd National Meeting & Exposition in Atlanta, GA in Aug. 2021 may be found here.
Symposium Suggestions?
If you have ideas for symposia for upcoming ACS National Meetings, please contact us.
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