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Date: Thu Dec 15 20:18:13 2016
Subject: 16.12.15 Postdoctoral Research Associate - Computational Surface Science NB50603749, ORNL, USA

Postdoctoral Research Associate - Computational Surface Science NB50603749

The Chemical Separations Group in the Chemical Sciences Division at Oak Ridge National Laboratory seeks a Postdoctoral Research Associate to assist in the exploration of strategies to improve flotation of rare earth rich minerals via computational rational design of new flotation agents that are complementary to the surface structure. In this role, you will perform computational studies aimed at better understanding the atomic structure and adsorption properties of mineral interfaces and identification of potential flotation agents using state-of-the-art structure-based design approaches and first-principles methods. Computational methods will primarily involve density functional theory methods, molecular design, and classical force-field based molecular simulations. You will also work within a multidisciplinary multi-institutional team involving specialists in theory, organic synthesis, and surface characterization.

How to Apply: To be considered for this position, job seekers must complete an online application at: Postdoctoral Research Associate - Computational Surface Science / NB50603749
https://recruiting.ornl.gov/sap/bc/webdynpro/sap/hrrcf_a_posting_apply?PARAM=cG9zdF9pbnN0X2d1aWQ9MDA1MDU2QjQzOTc3MUVENkIwQzZGRTBDMTU4RjM0NTQmY2FuZF90eXBlPUVYVA%3d%3d&sap-client=010&sap-language=EN

Major Duties/Responsibilities:

  • Work with a diverse team of scientists seeking both to advance scientific understanding of structures of mineral interfaces and surface recognition, as well as to put this understanding toward computational ligand design to achieve significant improvements in flotation efficiency
  • Independently plan and conduct simulations and work with experimentalists to guide the design of synthetic flotation agents with high adsorption affinity and selectivity
  • Present research findings 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 a 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 or chemical physics completed within the last 5 years
  • Experience with both static Density Functional Theory (DFT) calculations (e.g., Vienna Ab inito Simulation Package [VASP]) 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) heterogeneous catalysis; (ii) classical MD, Quantum Mechanics/Molecular Mechanics (QM/MM) or ab initio molecular dynamics simulations of liquids and reactions in liquids and at interfaces using advanced free energy methods (e.g., constrained MD, Metadynamics); (iii) force filed development; (iv) programming skills for Linux systems
  • 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
  • Self-motivated, able to work independently, and safety conscious
  • 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: Postdoctoral Research Associate - Computational Surface Science / NB50603749
https://recruiting.ornl.gov/sap/bc/webdynpro/sap/hrrcf_a_posting_apply?PARAM=cG9zdF9pbnN0X2d1aWQ9MDA1MDU2QjQzOTc3MUVENkIwQzZGRTBDMTU4RjM0NTQmY2FuZF90eXBlPUVYVA%3d%3d&sap-client=010&sap-language=EN

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



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