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.

You will

• 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.