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Up Directory CCL 16.09.14 Postdoctoral Research Associate - Computational Chemist, ORNL, TN
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Date: Wed Sep 14 17:11:29 2016
Subject: 16.09.14 Postdoctoral Research Associate - Computational Chemist, ORNL, TN

Postdoctoral Research Associate - Computational Chemist NB50587638

The Chemical Separations Group in the Chemical Sciences Division at Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to assist in predictive modeling of hydrolytic stability of organic cations in strongly alkaline solutions. Computational methods will primarily involve wave-function and density-functional electronic structure theory techniques for predicting formation energies and reaction barriers for chemical transformations in the presence of implicit/explicit solvent. The postdoctoral researcher will work within a multidisciplinary, multi-institutional team involving specialists in theory, thermodynamics, spectroscopy, organic and polymer synthesis, and materials characterization.

How to Apply: To be considered for this position, job seekers must complete an online application at http://bit.ly/2cDQyiN

Major Duties/Responsibilities:

  • Work with a diverse team of scientists seeking to facilitate the design of stable organic cations, capable of withstanding very harsh environments of high hydroxide ion concentration under elevated temperatures.
  • Perform transition state theory calculations to provide a detailed mechanistic understanding of the relevant reaction pathways of degradation of organic cations in the presence of hydroxide.
  • Independently plan and conduct simulations and work with experimentalists to guide the design of new organic cations and receptors.
  • Present research results and publish scientific results in progress reports and peer-reviewed journals in a timely manner.
  • Participate in project planning and execution.
  • Work with staff to develop new proposals.
  • Ensure compliance with environment, safety, health and quality program requirements.
  • Maintain strong commitment 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 completed within the last 5 years.

Preferred Qualifications:

  • Application of the quantum chemistry methods to model the thermodynamics and kinetics (reaction barriers) of chemical transformations in the liquid phase.
  • Experience or knowledge in some of the following areas: (i) homogeneous catalysis; (ii) classical MD, QM/MM or ab initio molecular dynamics simulations of liquids and reactions in liquids using advanced methods (e.g., constrained MD, Metadynamics); and (iii) programming skills for Linux systems.
  • Knowledge to carry out transition state calculations, demonstrated by scientific publications.
  • Excellent written and oral communication skills to enable effective interaction with technical peers, program managers, and sponsors.
  • An excellent record of productive and creative research demonstrated by publications in peer-reviewed journals.
  • Be self-motivated, be able to work independently, and be safety conscious.
  • Have the ability to work collaboratively in a team environment and interact effectively with a broad range of colleagues.

Additional Information:

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{=}ornl.gov . Please include the title of the position in the subject line.

How to Apply: To be considered for this position, job seekers must complete an online application at http://bit.ly/2cDQyiN

ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.



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