Publications

Filters: Author is Van der Ven, Anton [Clear All Filters]

2016

Chen M-H, Thomas JC, Natarajan ARaju, Van der Ven A. 2016. Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.

Bechtel JS, Seshadri R, Van der Ven A. 2016. Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.

Goiri JGabriel, Van der Ven A. 2016. Phase and structural stability in Ni-Al systems from first principles. Physical Review B. 94(9):14.

Radin MD, Van der Ven A. 2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28(21):7898–7904.

Radin MD, Van der Ven A. 2016. Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals. Chemistry of Materials. 28:7898–7904.

Vinckeviciute J, Radin MD, Van der Ven A. 2016. Stacking-sequence changes and Na ordering in layered intercalation materials. Chemistry of Materials. 28:8640–8650.

2015

Chen M-H, Emly A, Van der Ven A. 2015. Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.

Chang D, Chen M-H, Van der Ven A. 2015. Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries. Chemistry of Materials. 27:7593–7600.

Chen M-H, Puchala B, Van der Ven A. 2015. High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.

Rhein RK, Dodge PC, Chen M-H, Titus MS, Pollock TM, Van der Ven A. 2015. Role of vibrational and configurational excitations in stabilizing the L 1 2 structure in Co-rich Co-Al-W alloys. Physical Review B. 92:174117.

Decolvenaere E, Gordon MJ, Van der Ven A. 2015. Testing predictions from density functional theory at finite temperatures: $\beta$ 2-like ground states in Co-Pt. Physical Review B. 92:085119.

Pages

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.