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

Recent Announcements

  • Jiangang and colleagues make the cover of PRL with new paper on Ultralow Thermal Conductivity in Full Heusler Semiconductors! Jiangang He, Maximilian Amsler, Yi Xia, S. Shahab Naghavi, Vinay I. Hegde, Shiqiang Hao, Stefan Goedecker, Vidvuds Ozoliņš, and Chris Wolverton Phys. Rev. Lett. 117, 046602 (2016)An image from the paper was selected for the cover of PRL! Congratulations to Jiangang, Max, Shahab, Vinay, and Shiqiang!"Scattering rates for three-phonon interactions for absorption (left) and emission (right) for the R Heusler semiconductor Ba2AuBi at 300 K. Horizontal axes are phonon frequencies; vertical axis is the scattering rate."
    Posted Jul 27, 2016, 11:55 PM by Max Amsler
  • David Successfully Defends his Thesis! Congratulations to Dr. Snydacker!
    Posted Jul 22, 2016, 2:06 PM by Shane Patel
  • 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
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