We anticipate hiring a postdoctoral appointee in the field of theoretical chemistry
to work with Judit Zádor and Ahren Jasper (www.sandia.gov/~ajasper) in the
Combustion Chemistry Department in the Combustion Research Facility of
Sandia National Laboratories, Livermore, California.
Depending on the interests and experience of the appointee,
the candidate could work in either of the following project areas:
1. The development and application of electronically nonadiabatic
molecular dynamics simulation methods and statistical theories to study
photoexcited systems and spin-forbidden processes related to combustion.
Of particular interest is the use of direct ab initio potential energy surface
evaluations and/or semi-automated surface fitting strategies.
2. The theoretical prediction of rate coefficients of elementary reactions
related to combustion chemistry from first principles using electronic
structure, transition state theory, and master equation calculations.
The postdoctoral associate will also have the opportunity to interact
with related ongoing experimental kinetics efforts in the department.
This position falls under Job Opening 637242 --
All candidates must apply online at www.sandia.gov/careers.
Required
A recent PhD in chemistry or physics, programming experience
including Fortran, and expertise in an area of computational chemistry
is required. Must have high scientific ability demonstrated by a strong
publication record and have good presentation and communication skills.
Desired
Knowledge of combustion chemistry, kinetic modeling, transition state theory,
molecular dynamics, quantum chemistry, potential energy surface fitting,
or related subjects is strongly desired. Familiarity with high performance
computing and/or quantum chemical codes is also desired.
U.S. citizenship is not required.
Department Description: The Combustion Chemistry program, under the
principal sponsorship of the Department of Energy's Office of Basic Energy Sciences,
seeks to reveal the key chemical processes that underlie the complex mechanisms
of combustion. The program emphasizes determination of the rates and
mechanisms of chemical reactions, characterization of molecular structure and
energetics, and development of full descriptions of chemical composition and
evolution of combustion systems. Researchers in the program employ laser-based
pump/probe techniques to interrogate chemical reactivity and structure, ion-imaging
to simultaneously measure velocity and internal-state distributions of reaction products,
experimental techniques in the picosecond and femtosecond domains to directly
probe energy transfer and conversion within and between molecules, and laser-based
methods directed at detection of combustion-generated particles. In other work,
molecular photolysis is coupled with absorption/fluorescence detection methods to
determine the thermal rate coefficients and product distributions for reactions that
constitute the individual steps in the combustion chain process. Current computational
efforts include ab initio calculations of molecular structure and energetics and computer
modeling of the complete kinetics of combustion processes in both laminar and
turbulent environments.
Sandia National Laboratories is the nation's premier science and engineering lab
for national security and technology innovation. We are a world-class team of scientists,
engineers, technologists, post docs, and visiting researchers all focused on cutting-edge
technology, ranging from homeland defense, global security, biotechnology,
and environmental preservation to energy and combustion research, computer security,
and nuclear defense.
Sandia National Laboratories is an Equal Opportunity Employer M/F/D/V.
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