Papers citing Sampling Polymorphs of Ionic Solids using Random Superlattices
Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys
Journal of the American Chemical Society · 2025
Andrew C. Novick, Quan Nguyen, Matthew Jankousky, M. Brooks Tellekamp, Eric S. Toberer, Vladan Stevanović
Read original paper ↗ ·Modeling glasses from first principles using random structure sampling
Journal of Applied Physics · 2025
Laszlo Wolf, Andrew C. Novick, Vladan Stevanović
Read original paper ↗ ·Discovering Stable Amorphous Ceramics: From Computational Prediction to Thin‐Film Synthesis
Advanced Materials · 2025
Oleksandr V. Pshyk, Siarhei Zhuk, Jyotish Patidar, Alexander Wieczorek, Amit Siddharth Sharma, Johann Michler, Claudia Cancellieri, Vladan Stevanović, Sebastian Siol
Read original paper ↗ ·High throughput and machine learning approaches for thermoelectric materials
MRS Bulletin · 2025
Eric S. Toberer, Andrew C. Novick, Elif Ertekin
Read original paper ↗ ·Structural stability, elemental ordering, and transport properties of layered ScTaN 2
Physical Review Materials · 2025
Baptiste Julien, Ian Andreas Leahy, Rebecca W. Smaha, John S. Mangum, Craig L. Perkins, Sage R. Bauers, Andriy Zakutayev
Read original paper ↗ ·Effective bands and band-like electron transport in amorphous solids
Nature Physics · 2025
Matthew Jankousky, Dimitar L. Pashov, João Henrique Mazo, Ross E. Larsen, V. Dobrosavljević, Mark van Schilfgaarde, Vladan Stevanović
Read original paper ↗ ·First-principles study of the phase competition, and mechanical and piezoelectric properties of pseudo-binary (SiC) 1− x (AlN) x alloy
Journal of Materials Chemistry C · 2026
Laszlo Wolf, Geoff L. Brennecka, Vladan Stevanović
Read original paper ↗ ·An Investigation into the Kinetic Persistence of TiO2 Polymorphs Using Machine-Learning-Driven Pathfinding in Crystal Configuration Space
Journal of Chemical Theory and Computation · 2026
Max C. Gallant, David Mrdjenovich, Kristin Aslaug Persson
Read original paper ↗ ·