Publications

Found 16 results
Author Title [ Type(Desc)] Year
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Conference Paper
Liu, Chong, Anirudh Raju Natarajan, Derick Evan Ober, Anton Van der Ven, and Yu-Xiang Wang. "Cost-sensitive experimental design for atomistic modeling." In ICML Workshop on Adaptive Experimental Design and Active Learning in the Real World., 2022.
Journal Article
Puchala, Brian, John C. Thomas, and Anton Van der Ven. "CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals." arXiv preprint arXiv:2309.11761 (2023).
Puchala, Brian, John C. Thomas, Anirudh Raju Natarajan, Jon Gabriel Goiri, Sesha Sai Behara, Jonas L. Kaufman, and Anton Van der Ven. "CASM—A software package for first-principles based study of multicomponent crystalline solids." Computational Materials Science 217 (2023): 111897.
Kaufman, Jonas L., and Anton Van der Ven. "Cation Diffusion Facilitated by Antiphase Boundaries in Layered Intercalation Compounds." Chemistry of Materials 34 (2022): 1889-1896.
Saber, Muna, Colleen Reynolds, Jonathan Li, Tresa M. Pollock, and Anton Van der Ven. "Chemical and structural factors affecting the stability of Wadsley–Roth block phases." Inorganic Chemistry 62 (2023): 17317-17332.
Y. Qi, Q. Xu, and A. Van der Ven. "Chemically induced crack instability when electrodes fracture." Journal of The Electrochemical Society 159 (2012): A1838-A1843.
Thomas, John C., Anirudh Raju Natarajan, and Anton Van der Ven. "Comparing crystal structures with symmetry and geometry." npj Computational Materials 7 (2021): 164.
G.H. Teichert, N.S.H. Gunda, S. Rudraraju, A.R. Natarajan, B. Puchala, K. Garikipati, and A. Van der Ven. "A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations." Computational Materials Science 128 (2017): 127-139.
H. Chi, H. Kim, J.C. Thomas, X. Su, S. Stackhouse, M. Kaviany, A. Van der Ven, X. Tang, and C. Uher. "Configuring pnicogen rings in skutterudites for low phonon conductivity." Physical Review B 86 (2012): 195209.
Natarajan, Anirudh Raju, and Anton Van der Ven. "Connecting the Simpler Structures to Topologically Close-Packed Phases." Physical Review Letters 121 (2018).
J.C. Thomas, A. Van der Ven, J.M. Millunchick, and N.A. Modine. "Considerations for surface reconstruction stability prediction on GaAs (001)." Physical Review B 87 (2013): 075320.
Kolli, S. K., and A. Van der Ven. "Controlling the Electrochemical Properties of Spinel Intercalation Compounds." ACS Applied Energy Materials (2018).
Rhein, Robert K., Patrick G. Callahan, Sean P. Murray, Jean-Charles Stinville, Michael S. Titus, Anton Van der Ven, and Tresa M. Pollock. "Creep Behavior of Quinary γ′-Strengthened Co-Based Superalloys." Metallurgical and Materials Transactions A 49, no. 9 (2018).
A. Saracibar, A. Van der Ven, and M.E. Arroyo- de Dompablo. "Crystal structure, energetics, and electrochemistry of Li2FeSiO4 polymorphs from first principles calculations." Chemistry of Materials 24 (2012): 495-503.
Heinze, Stefan G., Anirudh Raju Natarajan, Carlos G. Levi, and Anton Van der Ven. "Crystallography and substitution patterns in the Zr O 2 − YTa O 4 system." Physical Review Materials 2 (2018).
Natarajan, A. R., P. Dolin, and A. Van der Ven. "Crystallography, thermodynamics and phase transitions in refractory binary alloys." Acta Materialia 200 (2020).