2 papers
cond-mat.mtrl-sci2026
Designing dislocation-driven polar vortex networks in twisted perovskites
William Sandholt, Nicolas Gauquelin, John Mangeri +21
Twisting two atomic layers produces a geometric moire pattern, but bonding-induced interfacial reconstruction fundamentally transforms this into an ordered dislocation network - a…
cond-mat.mtrl-sci2025
The Interoperability Challenge in DFT Workflows Across Implementations
S. K. Steensen, T. S. Thakur, M. Dillenz +11
Interoperability and cross-validation remains a significant challenge in the computational materials discovery community. In this context, we introduce a common input/output standa…