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Windl Group

Windl Group

Dr. Wolfgang Windl works primarily in the area of computational materials science. His field of expertise is in the area of atomistic simulations, especially within density-functional theory.

Main current research areas include:

  • Ab-initio simulation of atom probe tomography
  • Layered and van der Waals materials with exotic properties
  • Transport and electronic structure in semiconductors
  • Metal alloys - thermodynamics, potentials, uncertainty quantification


Wolfgang Windl has a dual appointment with the Department of Materials Science and Engineering and Department of Physics.

His research is specific to computational materials modeling with a focus on the atomic scale and on modeling-enhanced characterization.

Windl has significant experience in teaching short courses on nanoscale simulation and nanoelectronic devices.

Research and curricula include:

  • Materials: Magnetic and spintronics materials, nuclear materials, semiconductors, high-performance structural materials, and metallic glasses.
  • Simulation-assisted materials design
  • Simulation of characterization spectra 
  • Atomic-scale structure resolution
  • Semiconductor process simulation
  • First-principles modeling of electronic structure, transport, and spin-related properties
  • Atomic-scale modeling of mechanical properties
  • Multiscale diffusion modeling and diffusion mechanisms

Principal Investigator