PURPOSE: Under the supervision of Dr. Jaron Krogel, the postdoctoral research associate will apply many-body quantum Monte Carlo (QMC) methods to explore the properties of functional materials as part of a recently established Center for Predictive Simulation of Functional Materials, a DOE-funded Computational Materials Sciences (CMS) Center. This position resides in the Materials Theory Group in the Materials Science and Technology Division (MSTD), Physical Sciences Directorate (PSD) at Oak Ridge National Laboratory (ORNL).
OVERVIEW: The goal of the Center is to develop and deploy advanced, systematically improvable quantum Monte techniques to problems in strongly correlated electronic structure. The center aims to demonstrate a new capacity of QMC techniques to conclusively predict, and hence ultimately design, the properties of functional materials. Recently emerging QMC methods for correlated electronic structure are expected to play and increasing role in this area as the exascale is approached in high performance computing. Computational research will be engaged closely with experimental studies of charge ordering, metal insulator transitions, and defect physics in correlated oxides. Successful applicants will have many opportunities for collaboration with computational theorists and experimentalists across multiple national laboratories, including Oak Ridge, Argonne, Sandia, and Lawrence Livermore national laboratories. The ideal candidate will have detailed knowledge of quantum mechanics and experience in the development and application of computational electronic structure methods on high performance computers.
• Learn/deploy many-body quantum Monte Carlo methods, such as diffusion and auxiliary field Monte Carlo
• Perform quantum Monte Carlo calculations on high performance computers with the QMCPACK code to investigate the many body electronic properties of functional materials
• Perform density functional theory calculations with Quantum Espresso to establish relaxed atomic structures and effective electronic band structures
• Plan and effectively execute computational research projects and perform detailed analysis of data in the context of quantum mechanics
• 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 commitment to the implementation and perpetuation of values and ethics
• A PhD in Physics, Materials Science, or Chemistry or a related subject completed within the last 5 years
• Demonstrated experience in first-principles calculations such as density functional theory, quantum chemistry, or quantum Monte Carlo
• An excellent record of productive and creative research demonstrated by publications in peer-reviewed journals
• Experience developing electronic structure methods in the context of theory or computation
• Experience with scripting or programming such as Python, Matlab, C, C++, or Fortran
• Experience working in Linux computing environments, especially in the context of high performance computers
• Excellent written and oral communication skills and the ability to communicate in English to an international scientific audience
• Ability to work with a measure of autonomy and a willingness to participate creatively in a collaborative team environment
• Ability to work on multiple tasks in a limited amount of time and to independently set priorities to meet deadlines
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 and a complete formal transcript of Ph.D. coursework when applying for this position. Three letters of reference are required and can be uploaded to your profile or emailed directly to [email protected]. Please include the title of the position in the subject line.
All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.
The main application page can be found at http://bit.ly/2dCohIO
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