Atomistic Modeling of Interfacial Reaction in Energy Storage Systems - Postdoctoral Researcher
Physical Life Sciences | livermore, CA | 08/09/2023
Job Code: PDS.1 Post-Dr Research Staff 1
Organization: Physical and Life Sciences
Position Type: Post Doctoral
Security Clearance: None/Position does not require US citizenship (assignments longer than 179 days require a federal background investigation)
Drug Test: Required for external applicant(s) selected for this position (includes testing for use of marijuana)
Medical Exam: Not applicable
Join us and make YOUR mark on the World!
Are you interested in joining some of the brightest talent in the world to strengthen the United States’ security? Come join Lawrence Livermore National Laboratory (LLNL) where our employees apply their expertise to create solutions for BIG ideas that make our world a better place.
We are committed to a diverse and equitable workforce with an inclusive culture that values and celebrates the diversity of our people, talents, ideas, experiences, and perspectives. This is important for continued success of the Laboratory’s mission.
We have multiple openings for Postdoctoral Researchers to conduct research on atomistic modeling of interfacial reactions in energy materials. Focus areas include predicting the electronic structure of oxide materials, defect formations, chemical reactions at heterogeneous interfaces, and propensities for materials degradation during operation. You will work closely with a multidisciplinary team in support of projects sponsored by the Basic Energy Sciences, Vehicle Technologies Offices, and Hydrogen and Fuel Cell Technologies Office within the Department of Energy. This position is in the Quantum Simulations Group of the Materials Science Division.
- Perform electronic structure theory-based simulations of oxide materials.
- Perform sophisticated searches for global minima of potential energy surfaces.
- Perform thermodynamic and kinetic analyses of phase transitions and chemical reactions.
- Develop structure-composition-property relationships for optimizing reactivity using statistical, analytical, and machine learning methodologies.
- Contribute to and actively participate in the conception, design, and execution of research to address defined problems.
- Collaborate with computational and experimental scientists in a multidisciplinary team environment to accomplish research goals.
- Pursue independent but complementary research interests and interact with a broad spectrum of scientists internally and externally to the Laboratory.
- Document research, publish papers in peer-reviewed journals, and present results within the DOE community and at conferences/technical meetings.
- Perform other duties as assigned.
- Ph.D. in Materials Science, Chemistry, Physics, or a related field.
- Experience in the application of density functional theory and/or advanced electronic structure theory to simulations of complex oxides and/or chemical reactions.
- Experience performing large-scale ab initio simulations on high-performance computing environments.
- Additional experience in at least one of the following methods: molecular dynamics, cluster expansion, advanced statistical sampling, kinetic Monte Carlo, or continuum simulations, as applied to the abovementioned applications.
- Ability to work independently on technical tasks, influence technical objectives, to provide in depth analysis, and develop unique technical solutions.
- Ability to develop independent research directions and describe results effectively in published peer-reviewed literature.
- Proficient verbal and written communication skills to collaborate effectively in a team environment, prepare written reports and present and explain technical information.
- Interpersonal skills necessary to interact with a diverse set of scientists, engineers and other technical and administrative staff in a collaborative, multidisciplinary team environment.
Qualifications we desire
- Experience with simulations of open-shell transition metal oxide, defect formations.
- Experience with simulations of metal-organic framework and their interactions with molecular species.
- Experience in developing local descriptors for chemical reactions at interfaces using statistical, analytical, or machine learning methods.
All your information will be kept confidential according to EEO guidelines.
This is a Postdoctoral appointment with the possibility of extension to a maximum of three years, open to those who have been awarded a PhD at time of hire date.
Why Lawrence Livermore National Laboratory?
- Flexible Benefits Package
- Relocation Assistance
- Education Reimbursement Program
- Flexible schedules (*depending on project needs)
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- Employee engagement - visit https://www.llnl.gov/diversity/employee-engagement
None required. However, if your assignment is longer than 179 days cumulatively within a calendar year, you must go through the Personal Identity Verification process. This process includes completing an online background investigation form and receiving approval of the background check. (This process does not apply to foreign nationals.)
Pre-Employment Drug Test
External applicant(s) selected for this position must pass a post-offer, pre-employment drug test. This includes testing for use of marijuana as Federal Law applies to us as a Federal Contractor.
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