In the Wolverton Research Group, our research focuses on using computational tools to help tackle today's pressing energy challenges.

Recent Announcements

  • New Paper in Nature L-D Zhao, S-H Lo, Y Zhang, H Sun, G Tan, C Uher, C Wolverton, VP Dravid and MG Kanatzidis. Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals. Nature 508 (2014)
    Posted Apr 17, 2014, 7:46 AM by Antoine Emery
  • New Paper on Machine Learning B Meredig, A Agrawal, S Kirklin, JE Saal, JW Doak, A Thompson, K Zhang, A Choudhary and C Wolverton. Combinatorial screening for new materials in unconstrained composition space with machine learning. Physical Review B 89, 094104 (2014)
    Posted Mar 14, 2014, 9:10 AM by Antoine Emery
  • New Paper on Ternary Ordered Semiconductor Compounds S Hao, L-D Zhao, C-Q Chen, VP Dravid, MG Kanatzidis and C Wolverton. Theoretical Prediction and Experimental Confirmation of Unusual Ternary Ordered Semiconductor Compounds in Sr–Pb–S System. J. Am. Chem. Soc. (2014) 136, pp 1628–1635
    Posted Mar 14, 2014, 9:12 AM by Antoine Emery
  • New Paper on Crystal Structure Prediction KJ Michel, C Wolverton. Symmetry building Monte Carlo-based crystal structure prediction. Computer Physics Communications (2014)
    Posted Feb 24, 2014, 8:53 AM by Antoine Emery
  • Prof. Wolverton wins Walder Award! The Walder Award recognizes excellence in research at Northwestern.
    Posted Feb 23, 2014, 10:49 AM by Antoine Emery
  • New Paper on Nonlocal First-Principles Calculations in Cu-Au Y Zhang, G Kresse and C Wolverton. Nonlocal First-Principles Calculations in Cu-Au and Other Intermetallic Alloys. Physical Review Letters 112 (2014)
    Posted Feb 24, 2014, 8:51 AM by Antoine Emery
  • New Paper on Thermoelectrics LD Zhao, HJ Wu, SQ Hao, CI Wu, XY Zhou, K Biswas, JQ He, TP Hogan, C Uher, C Wolverton, VP Dravid and MG Kanatzidis. All-scale hierarchical thermoelectrics : MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance. Energy Environ. Sci. (2013) 6
    Posted Feb 25, 2014, 8:41 AM by Antoine Emery
  • New Paper on Lithium Battery Design MK Thackeray, MKY Chan, L Trahey, S Kirklin and C Wolverton. Vision for Designing High-Energy, Hybrid Li Ion/Li−O2 Cells. Phys. Chem. Lett. (2013) 4, 3607−3611 
    Posted Feb 25, 2014, 8:43 AM by Antoine Emery
  • New Paper on defects in Uranium Dioxide A. Thompson, B. Merdig, M. Stan and C. Interatomic potential for accurate phonons and defects in UO2.  Journal of Nuclear Materials 446 (2014) 155–162
    Posted Feb 25, 2014, 8:44 AM by Antoine Emery
  • Logan Ward passes his qualifying exam Congratulation to him, he's now an official PhD candidate !
    Posted Dec 20, 2013, 11:26 AM by Antoine Emery
  • Antoine Emery Qualifies! Congratulations to Antoine Emery for passing his qualifying exam and becoming a PhD candidate!
    Posted Dec 17, 2013, 1:51 PM by Logan Ward
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