Publications

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J. Vinckeviciute, D. A. Kitchaev, and A. Van der Ven. "A two-step oxidation mechanism controlled by Mn migration explains the first-cycle activation behavior of Li2MnO3-based Li-excess materials." Chemistry of Materials (2021).
Kitchaev, Daniil A., and Anton Van der Ven. "Tuning magnetic antiskyrmion stability in tetragonal inverse Heusler alloys." Physical Review Materials 5 (2021): 124408.
R.A. Enrique, and A. Van der Ven. "Traction curves for the decohesion of covalent crystals." Applied Physics Letters 110 (2017): 021910.
F. Wang, H.C. Yu, M.H. Chen, L. Wu, N. Pereira, K. Thornton, A. Van der Ven, Y. Zhu, G.G. Amatucci, and J. Graetz. "Tracking lithium transport and electrochemical reactions in nanoparticles." Nature communications 3 (2012): 1201.
Natarajan, A. R., and A. Van der Ven. "Toward an understanding of deformation mechanisms in metallic lithium and sodium from first principles." Chemistry of Materials (2019).
A. Van der Ven, B. Puchala, and T. Nagase. "Ti-and Zr-based metal-air batteries." Journal of Power Sources 242 (2013): 400-404.
S. Rudraraju, A. Van der Ven, and K. Garikipati. "Three-dimensional isogeometric solutions to general boundary value problems of Toupin’s gradient elasticity theory at finite strains." Computer Methods in Applied Mechanics and Engineering 278 (2014): 705-728.
B. Puchala, and A. Van der Ven. "Thermodynamics of the Zr-O system from first-principles calculations." Physical Review B 88 (2013): 094108.
M. Wagemaker, A. Van der Ven, D. Morgan, G. Ceder, F.M. Mulder, and G.J. Kearley. "Thermodynamics of spinel Li x TiO 2 from first principles." Chemical Physics 317 (2005): 130-136.
A.S. Dalton, A.A. Belak, and A. Van der Ven. "Thermodynamics of lithium in TiO2 (B) from first principles." Chemistry of Materials 24 (2012): 1568-1574.
A. Van der Ven, and G. Ceder. "The thermodynamics of decohesion." Acta Materialia 52 (2004): 1223-1235.
Ober, Derick E., and Anton Van der Ven. "Thermodynamically Informed Priors for Uncertainty Propagation in First-Principles Statistical Mechanics." arXiv preprint arXiv:2309.12255 (2023).
Thomas, Jeremiah, Sesha Sai Behara, and Anton Van der Ven. "Thermodynamic and Kinetic Properties of the Lithium–Silver System." Chemistry of Materials (2024): null.
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.
Baek, Sun Woong, Muna Saber, Anton Van der Ven, and Laurent Pilon. "Thermodynamic analysis and interpretative guide to entropic potential measurements of lithium-ion battery electrodes." The Journal of Physical Chemistry C 126 (2022): 6096-6110.
H.C. Yu, A. Van der Ven, and K. Thornton. "Theory of grain boundary diffusion induced by the Kirkendall effect." Applied Physics Letters 93 (2008): 091908.
E. Decolvenaere, M.J. Gordon, and A. Van der Ven. "Testing predictions from density functional theory at finite temperatures: β 2-like ground states in Co-Pt." Physical Review B 92 (2015): 085119.

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