We have an opening for a Postdoctoral Researcher in the field of first-principles quantum mechanical and atomistic modelingof high-pressure phenomena. The emphasis will be on exploring high temperature properties of solids near melting, equation of state (EOS) development, and prediction of high-pressure-temperature phase diagrams and shear modulus. Postdoctoral candidates with a background in theoretical condensed matter physics or computational material science are especially encouraged to apply. The candidate will work closely with a multidisciplinary team in support of projects sponsored by NNSA. The position is in the Quantum Simulations Group of the Physics Division.

In this role you will

• Design and perform accurate simulations using state-of-the-art approaches, including first principles and classical molecular dynamics to study phase transitions induced by temperature, pressure and shear.
• Develop and apply theoretical free-energy models to compute phase diagrams and build physics-based multiphase EOS, including the potential application of machine-learning techniques towards the construction of the models.
• Develop and implement novel approaches to: (1) connect macroscopic properties with atomic-scale simulations, (2) increase simulation accuracy, or (3) improve simulation efficiency to enable longer simulations or larger-scale systems.
• Publish research results in external peer-reviewed scientific journals and participate in conferences.
• Present formal and informal overviews of research progress at weekly meetings.
• Participate in existing Division collaborations and alliances with academia and industry.
• Pursue independent (but complementary) research interests and interact with a broad spectrum of scientists internally and externally.
• Perform other duties as assigned.