We anticipate one postdoctoral opening on non-equilibrium simulation of phonon dynamics and transport in the Theory and Modeling Group at the Center for Nanoscale Materials (CNM), at the Argonne National Laboratory (near Chicago, USA). The focus is on developing a unified quantum mechanical picture of phonon emission, absorption, and transport for nanoscale devices under operating conditions. Methods may include density functional theory and density functional perturbation theory, quantum master equation, and classical and ab initio MD. The postdoctoral researcher will conduct first-principles calculations of electron-phonon coupling and phonon transport. The work is part of a larger initiative at Argonne National Laboratory in understanding the fundamentals of heat emission and absorption, and will be conducted in close collaboration with experimentalists at the CNM and Materials Science Division, including Gary Wiederrecht, Richard Schaller, Alex Martinson, and Anand Bhattacharya. The principal investigators for the theoretical component are Pierre Darancet, Maria Chan, Subramanian Sankaranarayan, and Stephen Gray.

Applicants should have considerable knowledge of the following:

• First principles modeling of materials
• Phonon dynamics
• Electron-phonon coupling
• Large-scale computer simulations

Good skills in modeling quantum dynamics of open systems, thermal transport, and scientific software development are advantageous. Excellent communication skills, both verbal and written, are required. Good collaborative skills, including the ability to work well with other disciplines, labs, universities, and industry, are beneficial. A PhD in physics, chemistry, materials science, electrical engineering, or a related field is required. Interested candidates should send their CV and answers to the questions below to Pierre Darancet at [email protected]:

• What materials modeling technique(s) do you have expertise in?
• What is your experience with software development?
• What is your experience with collaborative projects with experimental groups?
• What is your citizenship and current status in the US (if applicable)?

Argonne National Laboratory offers excellent compensation and benefit packages. Argonne is a U.S. Department of Energy laboratory managed by UChicago Argonne, LLC. Argonne is an equal opportunity employer, and we value diversity in our workforce.