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Postdoc in First Principles Calculations of MXen ... (No replies)
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Postdoctoral Research Associate - First-principles Studies of MXenes
https://jobs.ornl.gov/job/Oak-Ridge-Postdoctoral-Research-Associate-First-principles-Studies-of-MXenes-TN-37831/594795100/
We are seeking a Postdoctoral Research Associate to research the structure and properties of the layered MXenes and mechanisms of energy storage in capacitor and battery applications. You will be part of the Fluid Interface Reactions, Structure and Transport (FIRST) Energy Frontier Research Center (http://www.ornl.gov/sci/first/index.shtml). You will apply first principles methods to predict and understand the properties of MXenes, and work in strong collaboration with other members of the FIRST Center in which experimental studies are highly integrated with theory, modeling, and simulation. This project will primarily utilize density functional based calculations, but connections with reactive (ReaxFF), tight-binding and classical molecular dynamics will be pursued in collaboration with the Center’s broad theory effort and to make best contact with the measurements conducted by the Center’s synthesis and characterization effort. While MXenes are the primary focus, as additional novel electrode materials are identified, these will also be explored. The expected outcome of this research is improved conceptual understanding and quantitative models for high power and high energy density energy storage and conversion. This position will be situated in the Center for Nanophase Materials Sciences Division (CNMS), Physical Sciences Directorate at Oak Ridge National Laboratory (ORNL).
Enquiries are welcome to Dr. Paul Kent at [email protected], but applications must be submitted via the above URL.
Major Duties/Responsibilities:
• Perform first-principles calculations of MXenes including static calculations and first-principles molecular dynamics
• Collaborate with other FIRST EFRC members to develop predictive models
• Develop or adopt new modeling approaches for improved contact with experimental measurements
• Suggest new synthesis and characterization experiments to confirm predictions
• Responsible for presenting and reporting research results and publishing scientific results in peer-reviewed journals in a timely manner
• 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 PhD in physics, chemistry, material sciences, or a related field completed within the last five years
• Demonstrated experience in first-principles calculations
Preferred Qualifications:
• Familiarity with energy storage materials and calculations of their properties
• Previous experience of interfacial systems, fluids, or layered nanomaterials
• Demonstrated experience in first-principles, reactive, tight-binding, or classical molecular dynamics
• Prior-productive use of high-performance computing
• An excellent record of productive and creative research demonstrated by publications in peer-reviewed journals
• Excellent written and oral communication skills and the ability to communicate in English to an international scientific audience
• Ability to set priorities, multi-task and adapt to ever changing needs with the proven ability to function well in a fast-paced environment
• Ability to work with a measure of autonomy and a willingness to participate creatively in a collaborative team environment
Special Requirements:
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.