Publications

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B. Puchala, and A. Van der Ven. "Thermodynamics of the Zr-O system from first-principles calculations." Physical Review B 88 (2013): 094108.
Preefer, M. B., M. Saber, Q. Wei, N. H. Bashian, J. D. Bocarsly, W. Zhang, G. Lee, J. Milam-Guerrero, E. S. Howard, R. C. Vincent et al. "NEXT Multielectron Redox and Insulator-to-Metal Transition upon Lithium Insertion in the Fast-Charging, Wadsley-Roth Phase PNb9O25." Chemistry of Materials 32 (2020).
Pollock, T. M., and A. Van der Ven. "The evolving landscape for alloy design." MRS Bulletin 44, no. 4 (2019).
K. Persson, Y. Hinuma, Y.S. Meng, A. Van der Ven, and G. Ceder. "Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations." physical Review B 82 (2010): 125416.
K. Persson, V.A. Sethuraman, L.J. Hardwick, Y. Hinuma, Y.S. Meng, A. Van der Ven, V. Srinivasan, R. Kostecki, and G. Ceder. "Lithium diffusion in graphitic carbon." The journal of physical chemistry letters 1 (2010): 1176-1180.
A. Page, A. Van der Ven, P.F.P. Poudeu, and C. Uher. "Origins of phase separation in thermoelectric (Ti, Zr, Hf) NiSn half-Heusler alloys from first principles." Journal of Materials Chemistry A 4 (2016): 13949-13956.
A. Page, C. Uher, P.F. Poudeu, and A. Van der Ven. "Phase separation of full-Heusler nanostructures in half-Heusler thermoelectrics and vibrational properties from first-principles calculations." Physical Review B 92 (2015): 174102.