2 first-principles-calculation Postdoctoral positions at Argonne

Postdoctoral Appointee - MSD AI for Materials Chemistry

Argonne | Lemont, Illinois | United States | 11 days ago

. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations

Postdoctoral Appointee – ML-Accelerated Electronic Structure Modeling of 2D Materials (CNM)

Argonne | Lemont, Illinois | United States | about 1 month ago

functional theory (DFT)-based approaches, coupled with effective continuum and/or tight-binding models derived from first-principles calculations. The project is part of a large, multi-institution