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Computational Materials Science Group

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Welcome to the Computational Materials Science Group

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The Computational Materials Science Group conducts research ranging from nano-science to full-size engineering applications.

About CMS

Staff Members

Current CV's

Contact Information

How to get in touch with CMS

Computing and Computational Sciences Directorate

Oak Ridge National Laboratory's Computing and Computational Sciences Directorate conducts state-of-the-art research and development in computer and computational sciences in support of DOE's missions and programs.

Computer Science and Mathematics Division

The Computer Science and Mathematics Division (CSM) is ORNL's premier source of basic and applied research in high-performance computing, applied mathematics, and intelligent systems. Basic and applied research programs are focused on computational sciences, intelligent systems, and information technologies.

Center for Nanophase Materials Sciences

The Center for Nanophase Materials Sciences at Oak Ridge National Laboratory is a collaborative nanoscience user research facility for the synthesis, characterization, theory/ modeling/ simulation, and design of nanoscale materials. It is one of five Nanoscale Science Research Centers currently being established by the Office of Science, U.S. Department of Energy.

Research Areas

Structural Materials Science and Engineering

Nano and Condensed Matter Science


Applied Mathematics

Research Snapshots

Families of Signal Transduction Proteins

Calculation of the spectral function of a spin fermion model


Crystal Growth in Furnance


Information for Visitors

About ORNL

Oak Ridge National Laboratory is home to one of the nation's strongest materials sciences programs. Scientists at ORNL are involved in studies ranging from fundamental research to the latest applications of virtually all classes of materials. ORNL's unique strengths in materials synthesis, processing, and characterization are applied to all areas of emphasis. Thousands of guest scientists come to ORNL each year to make use of its world-class facilities

History of ORNL

As we celebrate ORNL's historical achievements, our challenge is to build on Alvin Weinberg's notion of a laboratory whose mission evolves and strengthens over time. To that end, we continue to build on ORNL's historic competencies in energy, life sciences, neutron sciences and advanced materials while adding new research missions in the areas of national security and high-performance computing.

Visiting ORNL

ORNL welcomes visitors to the Laboratory. However, because of increased security requirements, we've made some changes in how the site is accessed.

Living in East Tennessee

Additional resources related to Oak Ridge, surrounding communities, and Tennessee in general

Postdoctoral Opportunities

Oak Ridge Associated Universities

ORAU is a diverse organization headquartered in Oak Ridge, Tenn., with an office in Washington, D.C., and staff at several other locations across the country. Our mission is to advance scientific research and education through academic partnerships, our partnership with the U.S. Department of Energy (DOE), and our investment in the community.

Science Alliance

The Science Alliance promotes collaboration in science and engineering between the University of Tennessee and Oak Ridge National Laboratory, and between UT and other allied research organizations, for the purpose of enhancing the competitiveness of both.

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