Publications

Found 214 results
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2020
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).
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).
Radin, M. D., J. C. Thomas, and A. Van der Ven. "Order-disorder versus displacive transitions in Jahn-Teller active layered materials." Physical Review Materials 4 (2020).
Kaufman, J. L., and A. Van der Ven. "Ordering and Structural Transformations in Layered KxCrO2 for K-Ion Batteries." Chemistry of Materials 32, no. 15 (2020).
A. Van der Ven, Z. Deng, S. Banerjee, and S. P. Ong. "Rechargeable Alkali-Ion Battery Materials: Theory and Computation." Chemical Reviews 120, no. 14 (2020).
Teichert, G. H., A. R. Natarajan, A. Van der Ven, and K. Garikipati. "Scale bridging materials physics: Active learning workflows and integrable deep neural networks for free energy function representations in alloys." Computer Methods in Applied Mechanics and Engineering 371 (2020).
Schueller, E. C., D. A. Kitchaev, J. L. Zuo, J. D. Bocarsly, J. A. Cooley, A. Van der Ven, S. D. Wilson, and R. Seshadri. "Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo4Se8." Physical Review Materials 4 (2020).
Gunda, N. S. H., and A. Van der Ven. "Understanding the interactions between interstitial and substitutional solutes in refractory alloys: The case of Ti-Al-O." Acta Materialia 191 (2020).
2019
Leben-Higgins, Z. W., J. Vinckeviciute, J. P. Wu, N. V. Faenza, Y. Z. Li, S. Sallis, N. Pereira, Y. S. Meng, G. G. Amatucci, V. Van der Ven et al. "Distinction between Intrinsic and X-ray-Induced Oxidized Oxygen States in Li-Rich 3d Layered Oxides and LiAlO2." Journal of Physical Chemistry C 123, no. 21 (2019).
Leben-Higgins, Z. W., J. Vinckeviciute, J. P. Wu, N. V. Faenza, Y. Z. Li, S. Sallis, N. Pereira, Y. S. Meng, G. G. Amatucci, V. Van der Ven et al. "Distinction between Intrinsic and X-ray-Induced Oxidized Oxygen States in Li-Rich 3d Layered Oxides and LiAlO2." Journal of Physical Chemistry C 123, no. 21 (2019).
Pollock, T. M., and A. Van der Ven. "The evolving landscape for alloy design." MRS Bulletin 44, no. 4 (2019).
Bechtel, J. S., J. C. Thomas, and A. Van der Ven. "Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites." Physical Review Materials 3, no. 11 (2019).
Vinckeviciute, Julija, Maxwell D. Radin, Nicholas V. Faenza, Glenn G. Amatucci, and Anton Van der Ven. "Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge." Journal of Materials Chemistry A (2019).
Vinckeviciute, Julija, Maxwell D. Radin, Nicholas V. Faenza, Glenn G. Amatucci, and Anton Van der Ven. "Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge." Journal of Materials Chemistry A (2019).
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).
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).
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).
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).
Kaufman, Jonas L., and Anton Van der Ven. "NaxCoO2 phase stability and hierarchical orderings in the O3/P3 structure family." Physical Review Materials 3 (2019).
Kaboudvand, F., J. Vinckeviciute, S. K. Kolli, M. D. Radin, and A. Van der Ven. "Phase stability and electronic structure of tin sulfide compounds for Li-ion batteries." Journal of Physical Chemistry C (2019).
Kaboudvand, F., J. Vinckeviciute, S. K. Kolli, M. D. Radin, and A. Van der Ven. "Phase stability and electronic structure of tin sulfide compounds for Li-ion batteries." Journal of Physical Chemistry C (2019).
Toriyama, M. Y., J. L. Kaufman, and A. Van der Ven. "Potassium Ordering and Structural Phase Stability in Layered KxCoO2." ACS Applied Energy Materials (2019).
Lebens-Higgins, Z. W., N. V. Faenza, M. D. Radin, H. Liu, S. Sallis, J. Rana, J. Vinckeviciute, P. J. Reeves, M. J. Zuba, F. Badway et al. "Revisiting the charge compensation mechanisms in LiNi0.8Co0.2-yAlyO2 systems." Materials Horizons (2019).
Lebens-Higgins, Z. W., N. V. Faenza, M. D. Radin, H. Liu, S. Sallis, J. Rana, J. Vinckeviciute, P. J. Reeves, M. J. Zuba, F. Badway et al. "Revisiting the charge compensation mechanisms in LiNi0.8Co0.2-yAlyO2 systems." Materials Horizons (2019).

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