Atomistic Modeling of Energy Materials Postdoctoral Researcher
Organisation Name: LLNL
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Company Description
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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.
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Pay Range
$113760 Annually
Job Description
We have an opening for Postdoctoral Researcher to conduct research on atomistic modeling of functional materials for energy applications. Key focus areas include investigating reactivity and transport at heterogeneous interfaces predicting propensities for materials degradation under operation and understanding electronic properties of materials under non-equilibrium conditions. You will work closely with a multidisciplinary team in support of projects sponsored by the Basic Energy Sciences and Energy Efficiency & Renewable Energy Offices within the Department of Energy. This position is in the Quantum Simulations Group of the Materials Science Division.
This position may offer a hybrid schedule which includes the flexibility to work from home one or moredays per week after a probationary period. The specifics of the hybrid schedule including the exact number of days required in the office and virtual work options may vary based on the needs of the team and the organization.
You will
Perform first-principles calculations to understand electronic properties of functional materials as well as their surfaces and interfaces.
Perform thermodynamic and kinetic analyses of electrochemical reactions and mass transport at surfaces and interfaces.
Develop structure-composition-property relationships for optimizing reactivity selectivity and stability 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.
Qualifications
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.
Experience performing large-scale ab initio simulations on high-performance computing environments.
Additional experience in at least one of the following methods: machine learning inter-atomic potentials molecular dynamics simulations cluster expansion advanced statistical sampling kinetic Monte Carlo microkinetic modeling tight-binding methods 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 high-throughput workflows.
Experience with AI approaches for materials discovery and optimization.
Experience in developing descriptors for characterizing and predicting interfacial reactions and transport using statistical analytical or machine learning methods.
Experience in performing grand canonical density functional theory for modeling electrochemical reactions.
Additional Information
#LI-Hybrid
Position Information
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.
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