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S. Kirklin, James E. Saal, Vinay I. Hegde, C. Wolverton, “High-throughput computational search for strengthening precipitates in alloys”, Acta Materialia, (2016)
Joanne Hill, Gregory Mulholland, Kristin Persson, Ram Seshadri, Chris Wolverton, Bryce Meredig, “Materials science with large-scale data and informatics”, MRS Bulletin, (2016)
Jiangang He, Maximilian Amsler, Yi Xia, S. Shahab Naghavi, Vinay I. Hegde, Shiqiang Hao, Stefan Goedecker, Vidvuds Ozoli??, Chris Wolverton, “Ultralow Thermal Conductivity in Full Heusler Semiconductors”, Physical Review Letters, (2016)
Li Dong Zhao, Gangjian Tan, Shiqiang Hao, Jiaqing He, Yanling Pei, Hang Chi, Heng Wang, Shengkai Gong, Huibin Xu, Vinayak P. Dravid, Ctirad Uher, G. Jeffrey Snyder, Chris Wolverton, Mercouri G. Kanatzidis, “Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe”, Science, (2016)
Wolverton, C.; Kirklin, Scott; Aykol, Muratahan, “Thermodynamic aspects of cathode coatings for lithium-ion batteries”, Advanced Energy Materials, (2014)
Dravid, Vinayak P.; Kanatzidis, Mercouri G.; Zhao, Li-Dong; Uher, Ctirad; Wolverton, C., “Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals”, Nature, (2014)
Choudhary, A.; Agrawal, A.; Zhang, K.; Meredig, B.; Kirklin, S., “Combinatorial screening for new materials in unconstrained composition space with machine learning”, Physical Review B - Condensed Matter and Materials Physics, (2014)
et al.; Zhao, L.D.; Wu, H.J.; Hao, S.Q.; Wu, C.I., “All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance”, Energy and Environmental Science, (2013)
Wolverton, C.; Meredig, Bryce; Saal, James E.; Kirklin, Scott; Aykol, Muratahan, “Materials design and discovery with high-throughput density functional theory: The open quantum materials database (OQMD)”, JOM, (2013)
Wolverton, Chris; Meredig, Bryce; Kirklin, Scott, “High-throughput computational screening of new Li-Ion battery anode materials”, Advanced Energy Materials, (2013)
et al.; Zhao, Li-Dong; Lee, Yeseul; Lo, Shih-Han; Wu, Chun-I, “High thermoelectric performance via hierarchical compositionally alloyed nanostructures”, Journal of the American Chemical Society, (2013)
Wolverton, C.; Meredig, Bryce, “A hybrid computational-experimental approach for automated crystal structure solution”, Nature Materials, (2013)
Greeley, Jeffrey P.; Wolverton, C.; Chan, Maria K. Y., “First principles simulations of the electrochemical lithiation and delithiation of faceted crystalline silicon”, Journal of the American Chemical Society, (2012)
Dravid, Vinayak P.; He, Jiaqing; Kanatzidis, Mercouri G.; Wolverton, C.; Zhao, Li-Dong, “Raising the thermoelectric performance of p-type Pbs with endotaxial nanostructuring and valence-band offset engineering using CdS and ZnS”, Journal of the American Chemical Society, (2012)
M. M. Thackeray, C. Wolverton and E. D. Isaacs, “Electrical energy storage for transportation-approaching the limits of, and going beyond, lithium-ion batteries”, Energy & Environmental Science, (2012)
Y. Zhang, E. Majzoub, V. Ozolins and C. Wolverton, “Theoretical Prediction of Metastable Intermediates in the Decomposition of Mg(BH4)(2)”, Journal of Physical Chemistry C, (2012)
D. Shin, C. Wolverton, J. R. Croy, M. Balasubramanian, S.-H. Kang, C. M. L. Rivera and M. M. Thackeray, “First-Principles Calculations, Electrochemical and X-ray Absorption Studies of Li-Ni-PO4 Surface-Treated xLi(2)MnO(3) center dot (1-x)LiMO2 (M = Mn, Ni, Co) Electrodes for Li-Ion Batteries”, Journal of the Electrochemical Society, (2012)
Y. Zhang, E. Skoug, J. Cain, V. Ozolins, D. Morelli and C. Wolverton, “First-principles description of anomalously low lattice thermal conductivity in thermoelectric Cu-Sb-Se ternary semiconductors”, Physical Review B, (2012)
WA Counts;C Wolverton;R Gibala, “First-principles energetics of hydrogen traps in alpha-Fe: Point defects”, Acta Materialia, (2010)
Wolverton, C.; Meredig, B.; Thompson, A.; Hansen, H. A.; van de Walle, A., “Method for locating low-energy solutions within DFT+ U”, Physical Review B, (2010)
J YANG;A SUDIK;C WOLVERTON;DJ SIEGEL, “High capacity hydrogen storage materials: attributes for automotive applications and techniques for materials discovery”, Chemical Society Reviews, (2010)
D Shin, C Wolverton, “First-principles density functional calculations for Mg alloys: A tool to aid in alloy development”, Scripta Materialia, (2010)
B MEREDIG;C WOLVERTON, “First-principles thermodynamic framework for the evaluation of thermochemical H2O- or CO2-splitting materials”, Physical Review B, (2009)
M MANTINA, Y WANG, LQ CHEN, ZK LIU, C WOLVERTON, “First principles impurity diffusion coefficients”, ACTA MATERIALIA, (2009)