Research Associate-TheoreticalJob Title: Research Associate - Computational N2 oxidation DARPA project Position Overview: SLAC National Accelerator Laboratory seeks a Research Associate within the Energy Sciences Directorate with a focus on Computational Electrochemistry of N 2 oxidation and Stability-Activity Studies under the newly awarded DARPA funding.
The research associate will work on N 2 oxidation studies performed using the NERSC and SLAC Shared Science Data Facility (S3DF) in collaboration with experimental studies at SSRL. Additionally, research associate will work on the related to fundamental electrochemical reactions, surface reactivity of metal oxides/hydroxides and their descriptors and applications towards AIML, OER/ORR projects, and HEOs for oxidative catalysis and other catalysis discovery projects.
Responsibilities include but are not limited to the following: - Mechanistic studies of N2-oxiadation and prediction of catalyst synthesis
- Predicting the experimental feasibility of the NOR activity and selectivity
- surface reactivity of metal oxides/hydroxides and their descriptors and applications towards AIML and MLIPs
- Theoretical modeling of t X-ray spectroscopy and scattering data of catalysts in connection with SSRL
- Publication of the results on high level scientific journals
Note: This is a two-year fixed term position with the possibility of extension. Research Associates are engaged with the design, support, operation and/or scientific exploitation of the major programs of the laboratory, under the guidance of their faculty or Senior Staff Scientist / Distinguished Staff Scientist supervisor. They are expected to work with a significant degree of independence on one or more specific tasks in support of the research program, frequently interacting with the laboratory's scientific community. Given the nature of this position, onsite work will be required.
To be successful in this position you will bring:- PhD in theoretical physics, physical chemistry, chemical physics or chemical engineering
- Strong background in computational catalysts
- Demonstrated knowledge of electrochemistry
- Excellent written and verbal communication skills
- Strong leadership abilities to work as part of an interdisciplinary team of scientists across multiple institutions
- The ability to travel to conferences
- Applicants will be evaluated on research experience and accomplishments in their field of expertise. Applicants will provide evidence of either a recently completed PhD degree, or confirmation of completion of the PhD degree requirements prior to starting the position.
Desired Skills:- Experience with ASE , python and SUNCAT tools for computational electrochemistry
- Experience with AIML tools for catalysis and materials science
- Programming skills (Python)
SLAC Employee Competencies:- Effective Decisions: Uses job knowledge and solid judgment to make quality decisions in a timely manner.
- Self-Development: Pursues a variety of venues and opportunities to continue learning and developing.
- Dependability: Can be counted on to deliver results with a sense of personal responsibility for expected outcomes.
- Initiative: Pursues work and interactions proactively with optimism, positive energy, and motivation to move things forward.
- Adaptability: Flexes as needed when change occurs, maintains an open outlook while adjusting and accommodating changes.
- Communication: Ensures effective information flow to various audiences and creates and delivers clear, appropriate written, spoken, presented messages.
- Relationships: Builds relationships to foster trust, team collaboration, and a positive climate to achieve common goals.
