Marius Stan

Senior Fellow


Dr. Marius Stan is a physicist and a chemist interested in non-equilibrium thermodynamics, heterogeneity, and multi-scale computational science for energy applications. He came to Argonne and the University of Chicago in 2010, from Los Alamos National Laboratory. Marius is a Senior Fellow at the University of Chicago’s Computation Institute.

The goal of his research is to discover or design materials, structures, and device architectures for nuclear energy and energy storage. To that end, Marius develops theory-based (as opposite to empirical) mathematical models of thermomechanical and chemical properties of imperfect materials. The imperfection comes from defects or deviations from stoichiometry (e.g., in battery electrodes) or from irradiation (e.g. in nuclear fuels). Then he uses the models in computer simulations of coupled heat and chemical transport, micro(nano)-structure evolution, and phase transformations. In parallel, he designs experiments to validate the models and simulations.

Marius has developed elements of an international strategy for the Organization for Economic Cooperation and Development (OECD), Nuclear Energy Agency (NEA) that resulted in a working party on multiscale models and simulation for nuclear energy and five international expert groups involving 14 OECD countries. In 2002, he created the Materials Models and Simulations for Nuclear Fuels (MMSNF) workshop that defined and promoted the concepts of  “models” and “simulations” for nuclear fuels applications. The workshops series continues to be organized in collaboration with American and international research centers, alternating between North America, Europe, and Asia.

Marius’ current projects include “heterogeneity by design,” a study of heterogeneous (nonuniform) materials that have improved properties compared to the homogenous ones, and “ZOOM,” a multiscale computational microscope that can “focus” at various time and space scales using as “lenses” density functional theory, molecular dynamics, phase field, and the finite-element method. Marius is writing a book on “Models and Simulations of Nuclear Fuels” for Taylor & Francis.