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

Recent Announcements

  • New Paper on ZnSb Polymorphs for Thermoelectrics M Amsler, S Goedecker, WG Zeier, GJ Snyder, C Wolverton, and L Chaput. ZnSb Polymorphs with Improved Thermoelectric Properties. Chem. Mater., 2016, 28 (9), pp 2912–2920.
    Posted May 10, 2016, 3:25 PM by Shane Patel
  • New Paper on Fingerpints for Crystal Structure L Zhu, M Amsler, T Fuhrer, B Schaefer, S Faraji, S Rostami, S Alireza Ghasemi, A Sadeghi, M Grauzinyte, C Wolverton and S Goedecker, A fingerprint based metric for measuring similarities of crystalline structures. J. Chem. Phys. 144 (2016) 034203
    Posted May 10, 2016, 3:25 PM by Shane Patel
  • New Paper on Superconductors JA Flores-Livas, M Amsler, C Heil, A Sanna, L Boeri, G Profeta, C Wolverton, S Goedecker and EK Gross, Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure, Phys. Rev. B 93, (2016) 020508
    Posted Jan 27, 2016, 12:42 PM by Antoine Emery
  • New Paper on Battery Cathodes S Kim, J-K Noh, M Aykol, Z Lu, Haesik Kim, W Choi, C Kim, KY Chung, C Wolverton, and B-W Cho, Layered-Layered-Spinel Cathode Materials Prepared by a High-Energy Ball-Milling Process for Lithium-ion Batteries. ACS Appl. Mater. Interfaces, (2016), 8, pp 363–370
    Posted Jan 20, 2016, 2:45 PM by Antoine Emery
  • The OQMD Highlighted on the New npj Computational Materials Homepage! S Kirklin, JE Saal, B Meredig, A Thompson, JW Doak, M Aykol, S Ruehl and C Wolverton, The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies. npj Computational Materials (2015) 15010
    Posted Dec 22, 2015, 1:14 PM by Antoine Emery
  • Thermoelectric Work Highlighted in McCormick News Doping Powers New Thermoelectric Material
    Posted Dec 9, 2015, 12:20 PM by Antoine Emery
  • Murat Successfully Defends His Thesis Congratulation to Dr. Aykol!
    Posted Dec 7, 2015, 2:21 PM by Antoine Emery
  • New Paper on Metal Sulfides Y Yu, M Aykol and C Wolverton, Reaction Thermochemistry of Metal Sulfides With GGA and GGA+U Calculations. Phys. Rev. B 92 195118 (2015)
    Posted Nov 10, 2015, 1:56 PM by Antoine Emery
  • Logan Wins the 2015 Weertman Doctoral Fellow Logan Ward, has been awarded the title of “2015 Weertman Doctoral Fellow”. The Weertman Doctoral Fellowship, established in 2014, is an achievement-based award to recognize a Ph.D. candidate in materials science and engineering for her or his outstanding scholarly achievements and promise. The Fellowship was established in honor of the tremendous contributions of Hans and Julia Weertman to the discipline of Materials Science and Engineering and to our department. Congratulations!
    Posted Oct 6, 2015, 1:06 PM by Antoine Emery
  • New Paper on High-Throughput Search for Strengthening Precipitates S. Kirklin, James E. Saal, Vinay I. Hegde, C. Wolverton. High-throughput computational search for strengthening precipitates in alloys. Acta Materialia. 102 (2016), 125–135.
    Posted Sep 29, 2015, 8:21 AM by Logan Ward
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