|CCL 20.03.02 Postdoctoral Research Associate - Computational Chemistry|
From: jobs at ccl.net (do not send your application there!!!)
To: jobs at ccl.net
Date: Mon Mar 2 11:50:42 2020
Subject: 20.03.02 Postdoctoral Research Associate - Computational Chemistry
Overview: We are seeking a Postdoctoral Research Associate who will focus on applying atomistic computational methods to model and advance separation technologies for water purification. 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 to develop modeling capabilities for computing ligand binding affinities and explore lattice and crystal energy landscapes for predicting crystal structures of insoluble salts. 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, crystallography, and characterization. Major Duties/Responsibilities: Work with a diverse team of scientists seeking to advance scientific understanding of structural and energetic aspects of ligand binding, selectivity, and ion speciation in aqueous solution Conduct molecular simulations to elucidate the thermodynamic and structural basis of ion recognition in improved separations Independently plan and conduct simulations and work with experimentalists to identify and prioritize organic ligands that are able to selectively precipitate specific ions 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) crystal structure predictions using genetic algorithms; (iv) machine learning for physical sciences; (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 Special Rquirements: 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===ornl.gov. 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.gov. 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.
TO BE CONSIDERED FOR THIS POSITION, APPLY VIA: https://jobs.ornl.gov/job/Oak-Ridge-Postdoctoral-Research-Associate-Computational-Chemistry-TN-37831/632645900/?locale=en_USNOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
All @ signs were changed to === to fight spam. Before you send e-mail, you need to change === to @
For example: change joe===big123comp.com to firstname.lastname@example.org
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at http://www.ccl.net/jobs. If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
|Modified: Mon Mar 2 18:38:23 2020 GMT|
|Page accessed 1921 times since Mon Mar 2 16:53:01 2020 GMT|