In the Wolverton Research Group, our research focuses on using computational tools to help tackle today's pressing energy challenges.
New Paper on Ternary Ordered Semiconductor CompoundsS Hao, L-D Zhao, C-Q Chen, VP Dravid, MG Kanatzidis, 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 Feb 26, 2014, 11:56 AM by Antoine Emery
New Paper on Crystal Structure PredictionKJ 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
New Paper on ThermoelectricsLD 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 DesignMK 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 DioxideA. 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
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
OQMD Website is Live!The Open Quantum Materials Database (OQMD) website is now live at oqmd.org! On it you can find a searchable database of over 250,000 DFT calculations, 0K phase diagrams, and much more.
Posted Oct 30, 2013, 7:27 AM by James Saal