Computational Materials Science

For several decades, many have dreamed that computational models based upon the theories of molecular dynamics or quantum mechanics would enable the prediction and modification of fundamental materials properties. But only in the last decade has this dream started to be realized. Our computational materials science group at Duke group is a leader in this effort.

Computational materials science research in the Department of Mechanical Engineering and Materials Science focuses on:

  • Computational materials
  • Electronic materials
  • Solid state engineering
  • Solid state physics
  • Nanoscience and technology
  • Optical properties of nanomaterials
  • Advanced optics
  • Thermodynamics of materials

Opportunities for Graduate Study

The department offers an M.S./Ph.D. with a study track in materials science and a core in solid materials and photonics. The course options emphasize nanoscience, nanomaterials and technology; photonics, solid state physics and electronic materials.

The department also offers a Master of Engineering (MEng) with an emphasis in materials science and engineering. This 30-credit degree program includes course work towards departmental requirements, an area of specialization, business and management fundamentals, and an internship or applied research experience. Students have the flexibility to focus on topics of solid, soft, bio and polymeric materials and characterization relevant to career preparation for the industrial sector.


Associate Professor in the Department of Mechanical Engineering and Materials Science
Professor in the Department of Mechanical Engineering and Materials Science
Bass Fellow
Modeling quasi-static and dynamic fracture of structural components, the evolution of interfaces with nonlinear constitutive laws, and developing models for stimulus-responsive hydrogels
Associate Professor in the Department of Civil and Environmental Engineering
Finite element methods, computational fluid and solid mechanics, multiphase porous media flows, computational methods for fluid and solid materials under extreme load conditions, turbulent flow computations, instability phenomena.