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Date: Fri Sep 20 14:51:55 2019
Subject: 19.09.20 Postdoctoral Research Associate - Computational Chemistry

We are seeking a Postdoctoral Research Associate who will focus on applying
computational methods to characterize mineral interfaces and design new
chelating agents optimized for use in separations. This position resides in
the Chemical Separations Group of the Chemical Sciences Division, Physical
Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL). In this
role, you will perform computational studies aimed at better understanding
the atomic structure and adsorption properties of mineral interfaces and
ligand binding in solution and at the interface. Computational methods will
primarily involve density functional theory calculations and classical/ab
initio molecular dynamics simulations based on unbiased and enhanced
sampling. You will also work within a multidisciplinary multi-institutional
team involving specialists in theory, organic synthesis, and surface


Major Duties/Responsibilities: 

Work with a diverse team of scientists seeking to advance scientific
understanding of structural and energetic aspects of mineral interfaces and
interfacial molecular recognition

Conduct molecular simulations to elucidate the thermodynamic and structural
basis of surface recognition manifested in improved separations

Independently plan and conduct simulations and work with experimentalists to
help interpret spectroscopic results and guide the design of synthetic
flotation agents with high adsorption affinity and selectivity

Participate in project planning and execution

Present and report research results and publish scientific results in
peer-reviewed journals in a timely manner

Ensure compliance with environment, safety, health and quality program requirements

Maintain strong dedication to the implementation and perpetuation of values and ethics

Basic Qualifications:

A Ph. D. in theoretical or computational chemistry or closely related field
in physical chemistry or chemical physics completed within the last five years

Experience with static Density Functional Theory (DFT) calculations (e.g.,
Vienna Ab inito Simulation Package (VASP), Gaussian) and classical molecular
dynamics (MD) simulations or MD simulations based on DFT theory (e.g.,
Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), VASP,
CP2K Open Source Molecular Dynamics)

Preferred Qualifications:

Experience or knowledge in some of the following areas: (i) classical and/or
ab initio molecular dynamics simulations of liquids and solids; (ii)
advanced free energy simulation methods (e.g., constrained MD, Metadynamics,
Umbrella sampling); (iii) heterogeneous catalysis; (iv) theoretical
spectroscopy; (v) programming skills for Linux systems

Excellent record of productive and creative research as demonstrated by
publications in peer-reviewed journals

Excellent written and oral communication skills and the ability to
communicate to an international, scientific audience

Motivated self-starter with the ability to work independently and to
participate creatively in collaborative teams across the laboratory  

Ability to set priorities to accomplish multiple tasks within deadlines, and
adapt to ever changing needs

Applicants cannot have received their Ph.D. more than five years prior to
the date of application and must complete all degree requirements before
starting their appointment. The appointment length will be up to 24 months
with the potential for extension. Initial appointments and extensions are
subject to performance and availability of funding.


Please provide a list of publications when applying for this position. 
Three letters of reference are required and can be uploaded to your profile
or emailed directly to PSDrecruit^-^  Please include the title of
the position in the subject line.


This position will remain open for a minimum of 5 days after which it will
close when a qualified candidate is identified and/or hired.

We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format
(.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party
vendors will not be accepted; these resumes will be deleted and the
candidates submitted will not be considered for employment.

If you have trouble applying for a position, please email ORNLRecruiting^-^

ORNL is an equal opportunity employer. All qualified applicants, including
individuals with disabilities and protected veterans, are encouraged to
apply.  UT-Battelle is an E-Verify employer.
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Modified: Sat Sep 21 02:21:17 2019 GMT
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