Welcome

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

Recent Announcements

  • Tony successfully defends his thesis! Congratulations to Dr. Emery!
    Posted Jul 18, 2017, 6:40 AM by Shane Patel
  • New Paper on Sodium Intercalation in MoS2 Nanosheets Q. Li, Z. Yao, J. Wu, S. Mitra, S. Hao, T.S. Sahu, Y. Li, C. Wolverton, V.P. Dravid. Intermediate Phases in Sodium Intercalation into MoS2 Nanosheets and Their Implications for Sodium-Ion Batteries. Nano Energy. 2017.
    Posted Jun 10, 2017, 5:54 PM by Zhenpeng Yao
  • Kyle Bushwick named MSE Outstanding Junior! Congratulations to Kyle Buschwick for being named THE Outstanding Junior in Northwestern's Materials Science Department
    Posted May 18, 2017, 10:32 AM by Shane Patel
  • Eric Isaacs named a 2017 Frederick A. Howes Scholar in Computational Science Congratulations to Eric Isaacs for being named a Frederick A. Howes Scholar, awarded to recent alumni of the U.S. Department of Energy Computational Science Graduate Fellowship, who've exhibited outstanding leadership, character, and technical achievements.
    Posted Apr 17, 2017, 10:10 AM by Shane Patel
  • New Paper on High Pressure Iron-Bismuth Intermetallic Compounds M Amsler, SS Nagavi, and C Wolverton. Prediction of superconducting iron-bismuth intermetallic compounds at high pressure. Chemical Science. 2017.
    Posted Dec 29, 2016, 4:45 PM by Shane Patel
  • New Paper on High-throughput Design of Cathode Coating Materials for Li-ion Batteries M Aykol, S Kim, VI Hegde, D Snydacker, Z Lu, S Hao, S Kirklin, D Morgan, and C Wolverton. High-throughput computational design of cathode coatings for Li-ion batteries. Nature Communications 7, 13779 (2016).
    Posted Dec 15, 2016, 9:00 AM by Shane Patel
  • New Paper on Over-lithiated Cobalt/Nickel Spinel Oxides for Li-ion Batteries E Lee, J Blauwkamp, FC Castro, J Wu, VP Dravid, P Yan, C Wang, S Kim, C Wolverton, R Benedek, F Dogan, JS Park, JR Croy, and MM Thackeray. Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells. ACS Appl. Mater. Interfaces 8, 27720–27729 (2016).
    Posted Dec 15, 2016, 8:56 AM by Shane Patel
  • New Paper on Discovery of a Superconducting Cu–Bi Intermetallic Compound SM Clarke, JPS Walsh, M Amsler, CD Malliakas, T Yu, S Goedecker, Y WAng, C Wolverton, DE Freedman. Discovery of a Superconducting Cu–Bi Intermetallic Compound by High-Pressure Synthesis. Angew. Chem. Int. Ed. (2016)
    Posted Sep 30, 2016, 4:22 PM by Shane Patel
  • New Paper on Organic Dye/Graphene Hybrid Structures YS Gim, Y Lee, S Kim, S Hao, MS Kang, WJ Yoo, H Kim, C Wolverton, JH Cho. Organic Dye Graphene Hybrid Structures with Spectral Color Selectivity. Adv. Func. Matls. Vol. 26, 36. 2016. 
    Posted Sep 30, 2016, 8:13 AM by Shane Patel
  • Tony and colleagues make the cover of Chemistry of Materials with new paper on High-Throughput Screening of Perovskites for Thermochemical Water Splitting AA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton. High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications. Chem. Mater., 2016, 28 (16),pp 5621–5634. Multiple images from the paper were chosen for the cover of the most recent issue of Chemistry of Materials. Congratulations to Tony, James, Scott, and Vinay!"Emery et al. employed high-throughput density functional theory to monitor the thermodynamic stability and oxygen vacancy formation energy of ABO3 perovskites from thousands of possible combinations of A and B atoms, with the aim to identify materials that can be synthesized and used for hydrogen production through solar thermochemical water splitting (see top image). Each line (bottom image) represents a stable compound while ...
    Posted Sep 6, 2016, 12:29 PM by Shane Patel
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