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An opportunity exists for a Ph.D.-level Computational Materials Physicist, Materials Scientist, or Materials Engineer with demonstrated expertise in the computational materials design and multi-scale modeling of a variety of advanced /emerging materials, to develop first-principles material models and data analysis tools in support of the NETL Solid Oxide Fuel Cells research group.
Research efforts focus primarily on:
- Principles and multiphysics models for the relevant physical and chemical processes of materials under Solid Oxide Fuel Cell operating conditions
- Validation of models using detailed in-house experiments or independently published reports.
The candidate should be a self-motivated computational materials physicist/scientist/engineer who can lead investigations to the properties of advanced materials, using state-of-the-art computational methods, e.g. Density Functional Theory, Molecular Dynamics, Monte Carlo, Phase Diagram Calculations, Finite Element Analysis and related techniques.
This position will utilize the computational approaches and modeling techniques to understand and exploit relationships between material chemistry, electronic structures, defect and phase stability, transport, interfaces and their evolution, for properties over multiple length and time scales in Solid Oxide Fuel Cells and other applications. In addition, experiences in performing and developing high throughput computational material modeling approaches and materials databases are preferred, for integration with multiscale models on the High Power Computing (HPC) platform known as the NETL Joule 2.0 (https://hpc.netl.doe.gov). The research is performed in collaboration with other computational and experimental teams within NETL, industry collaborators, and academia.
Broadly, the tasks of the position include:
- Generate computational modeling environments using relevant paradigms that allow rapid execution of existing electronic, thermodynamic, kinetic, and multiphyiscs models.
- Examine and model properties of existing or commercial SOFC materials and their interfaces over multiple length and time scales to determine design strategy for rational development.
- Develop approaches and tools to datamine material properties in the materials data repository for physical and chemical processes of SOFC materials and other applications.
- Generate a method to pass data from one computational module to another, such that results from one model can be transferred to another model.
- Relevant Ph.D. degree and 4 years of prior relevant experience specializing in Computational Chemistry/Materials Science from any of the disciplines in Chemistry, Materials Science & Engineering, Metallurgical Engineering, Mechanical Engineering, Chemical Engineering and related qualification.
- Scientific and professional recognition and profile via papers, books, training, professional service, etc. Advanced documentation and reporting skills involving frequent internal and external publications and presentations are a must.
- Possess demonstrable skill in performing atomistic and multiphysics modeling for solving material electronic structure, defect and phase equilibrium, complex reaction, and transport problems in solid oxide cell R&D and other relevant applications.
- Excellent communication skills, and will possess demonstrable experience completing research in a collaborative/team environment.
- Potential to mentor team members, bring in additional funding, deliver on projects and enhance credibility of the team within and outside of NETL.
- The ideal candidate will have experience working at NETL and with solid oxide fuel cell materials, in particular. The successful candidate will be involved within the highly collaborative research environment of the Research & Innovation Center of the National Energy Technology Laboratory.