Welcome


In the Atomistic Theory of Materials (AToM) Research Group, our research focuses on using computational tools to help tackle today's pressing energy challenges.

Thermodynamics         Kinetics

-Crystal structure prediction                                      -Catalysis
-Phase stability                                                          -Microstructure
-Order/disorder phenomena                                      -Diffusion
-Defect energetics                                                     -Reaction mechanism
-Interfaces and surfaces

Recent Announcements

  • Muratahan Aykol Qualifies Congratulations to graduate student Muratahan Aykol, who passed his qualifying exam, becoming a Ph.D. candidate.
    Posted Feb 12, 2013, 10:57 AM by Antoine Emery
  • Jeff W. Doak wins an MRS Presentation Award Jeff W. Doak was a recipient of an MRS Fall Meeting Student Presentation Award for Symposium B, Thermoelectric Materials Research and Device Development for Power Conversion and Refrigeration.
    Posted Dec 6, 2012, 8:16 AM by Jeff Doak
  • David Snydacker Qualifies Congratulations to graduate student David Snydacker, who passed his qualifying exam, becoming a Ph.D. candidate.
    Posted Nov 5, 2012, 10:45 AM by Jeff Doak
  • New Thermoelectric Materials Paper Jeff W. Doak and Chris Wolverton published a paper on the coherent and incoherent phase stability of rocksalt thermoelectric alloys in Physical Review B 86 144202, published October 15st, 2021 ...
    Posted Nov 5, 2012, 10:43 AM by Jeff Doak
  • Wei Chen successfully defends thesis Wei Chen has successfully defended his thesis to his committee and will be the first graduate student in the AToM research group to earn his Ph.D. Congratulations Wei!
    Posted Jun 1, 2012, 8:45 AM by Alexander Thompson
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