We have multiple openings for Postdoctoral Researchers to conduct research on atomistic modeling of heterogeneous interfaces for energy storage and conversion. Focus areas will include simulations of structure, chemistry, and transport at solid-solid and solid-liquid interfaces, with applications including solid-state batteries and the delivery and storage of hydrogen. You will work closely with a multidisciplinary team in support of projects sponsored by the Hydrogen and Fuel Cell Technologies and Vehicle Technologies Offices within the Department of Energy. These positions are in the Quantum Simulations Group of the Materials Science Division.

In this role you will

• Perform atomistic simulations of complex solid-solid and solid-liquid interfaces.
• Perform sophisticated searches for global minima of complex potential energy surfaces.
• Perform thermodynamic and kinetic analyses of phase transitions and chemical reactions.
• Develop structure-composition-property relationships for optimizing transport and 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.