[Neutron] Postdoctoral position in ab initio modeling and neutron scattering of molten salts at MIT

[Boris Khaykovich]

Postdoctoral position in using artificial intelligence and experiment+ab
initio modeling to study the molecular structure of molten salt
Department of Nuclear Science and Engineering, MIT
Cambridge, MA

Molten salts are widely used for electrical and thermal energy storage,
materials processing, and in Generation-IV Molten-Salt Fission Reactors (MSR)
and future fusion reactors (ARC) as a coolant and/or fuel. In particular,
the MSR application requires detailed knowledge of the molten salt
properties in order to understand and predict the salt’s behavior in
service. Fundamental properties of interest include molecular structure and
speciation, as well as dynamic properties such as diffusion coefficients
for the salt and corrosion and fission products dissolved in it. Computer
modeling is necessary to predict changes in physical and chemical
properties due to irradiation and burning of dissolved fuel. Our group will
perform ab initio molecular dynamics simulations to understand the
multi-component liquid solution. Machine learning algorithms will be used
to develop a fast-acting model that can handle molten salt with an
arbitrary number of chemical elements and be able to predict chemical
potential as a function of composition and temperature. The measurement
data for the modeling will be obtained with the help of advanced neutron
and x-ray scattering and spectroscopy, which provide the most reliable and
direct determination of the structure and dynamics of the melts.

The successful candidate will work with Dr. Boris Khaykovich and Prof. Ju
Li at MITto analyze the experimental data and use the data to build and
test atomistic structural and dynamics models with the help of artificial
intelligence. Interest and experience are required in ab initio simulations
of materials, machine learning, and/or data processing and evaluation of
neutron and x-ray diffraction measurements. Background in chemistry,
physics, chemical engineering and nuclear engineering are preferred.

Please send your info, full resume, and up to three (3) papers, potentially
relevant to this project, and any questions to:

Dr. Boris Khaykovich
Massachusetts Institute of Technology
Nuclear Reactor Laboratory
e-mail: bkh at mit.edu
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