This is to let you know of an upcoming ACS symposium on gas phase theory. The deadline for abstract submission is March 12.
256th ACS National Meeting (Boston, 8/19-23, 2018), Call for Papers (Division of Physical Chemistry)
From potential energy surfaces to dynamics and kinetics: A priori theories for combustion, atmospheric, and interstellar chemistry
Richard Dawes, Missouri University of Science and Technology ([log in to unmask])
Ahren Jasper, Argonne National Laboratory ([log in to unmask])
This symposium highlights advances in the development of first-principles theoretical approaches for characterizing chemistry in the gas phase and beyond. The coupling of high-level ab initio-based potential energy surfaces with increasingly detailed dynamical models is enabling theoretical predictions with unprecedented accuracy. The increased role of theory as an independent source of quantitative chemical and physical information, along with the approaching age of exascale computing, is anticipated to have a transformative effect throughout chemistry. Themed topical sessions are dedicated to potential energy surface development, dynamics, and kinetics methodologies, as well as demonstrations of the impact of a priori theories in combustion, atmospheric, and interstellar chemistry.
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