Publications

Found 141 results
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L
Reed, J, G Ceder, and A Van der Ven. "Layered-to-Spinel Phase Transition in Li x MnO2." Electrochemical and Solid-State Letters 4 (2001): A78-A81.
D. Morgan, A. Van der Ven, and G. Ceder. "Li conductivity in Li x MPO 4 (M= Mn, Fe, Co, Ni) olivine materials." Electrochemical and solid-state letters 7 (2004): A30-A32.
D. Chang, and A. Van der Ven. "Li intercalation mechanisms in CaTi 5 O 11, a bronze-B derived compound." Physical Chemistry Chemical Physics 18 (2016): 32042-32049.
Natarajan, A. R., and A. Van der Ven. "Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys." NPJ Computational Materials 6 (2020): 80.
A. Van der Ven, J.C. Thomas, Q. Xu, and J. Bhattacharya. "Linking the electronic structure of solids to their thermodynamic and kinetic properties." Mathematics and computers in simulation 80 (2010): 1393-1410.
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.
Van der Ven, A, and G Ceder. "Lithium diffusion in layered Li x CoO2." Electrochemical and Solid-State Letters 3 (2000): 301-304.
A. Van der Ven, and G. Ceder. "Lithium diffusion mechanisms in layered intercalation compounds." Journal of power sources 97 (2001): 529-531.
M
Teichert, G. H., A. R. Natarajan, A. Van der Ven, and K. Garikipati. "Machine learning materials physics: Integrable deep neural networks enable scale bridging by learning free energy functions." Computer Methods in Applied Mechanics and Engineering 353, no. 15 (2019).
Thomas, J. C., J. S. Bechtel, A. R. Natarajan, and A. Van der Ven. "Machine learning the density functional theory potential energy surface for the inorganic halide perovskite CsPbBr3." Physical Review B 100 (2019).
Natarajan, A. R., and A. Van der Ven. "Machine-learning the configurational energy of multicomponent crystalline solids." npj Computational Materials 4 (2018).
D.H. Fabini, J.G. Labram, A.J. Lehner, J.S. Bechtel, H.A. Evans, A. Van der Ven, F. Wudl, M.L. Chabinyc, and R. Seshadri. "Main-Group Halide Semiconductors Derived from Perovskite: Distinguishing Chemical, Structural, and Electronic Aspects." Inorganic Chemistry 56 (2017): 11-25.
M.D. Radin, J. Vinckeviciute, R. Seshadri, and A. Van der Ven. "Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials." Nature Energy (2019).
Kitchaev, D. A., E. C. Schueller, and A. Van der Ven. "Mapping skyrmion stability in uniaxial lacunar spinel magnets from first principles." Physical Review B 101 (2020).
J. Bhattacharya, and A. Van der Ven. "Mechanical instabilities and structural phase transitions: The cubic to tetragonal transformation." Acta Materialia 56 (2008): 4226-4232.
S. Rudraraju, A. Van der Ven, and K. Garikipati. "Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids." npj Computational Materials 2 (2016): 16012.
V. Etacheri, Y. Kuo, A. Van der Ven, and B.M. Bartlett. "Mesoporous TiO 2–B microflowers composed of (1 1 [combining macron] 0) facet-exposed nanosheets for fast reversible lithium-ion storage." Journal of Materials Chemistry A 1 (2013): 12028-12032.
A. Emly, and A. Van der Ven. "Mg Intercalation in Layered and Spinel Host Crystal Structures for Mg Batteries." Inorganic chemistry 54 (2015): 4394-4402.
E. Decolvenaere, E. Levin, R. Seshadri, and A. Van der Ven. "Modeling magnetic evoluton and exchange hardening in disordered magnets: The example of Mn1-xFexRu2Sn Heusler alloys." Physical Review Materials 3 (2019).

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