Materials Theory

Theoretical and computational research on materials play a central and steadily growing role in both materials science and chemical engineering. The most important roles of theory are to provide a conceptual paradigm for understanding material properties, and to sharpen the questions that we ask about experimental data. Computational studies often also play a crucial role in guiding the interpretation of specific experiments, and are increasingly able to guide the design and selection of materials for applications. Researchers in CEMS uses a variety of approaches to describe different types of materials and phenomena over a wide range of length scales. Approaches pursued here include ab initio quantum mechanical studies of electronic properties and equilibrium structures, studies of coarse-grained models of polymers and other soft materials, and continuum-level studies of materials processing.

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Department of Chemical Engineering and Materials Science

421 Washington Ave. SE, Minneapolis, MN 55455-0132

P: 612-625-1313 | F: 612-626-7246

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