Showing 1–17 of 17 results
/ Date/ Name
Feb 9, 2023A High-Throughput Computational Dataset of Halide Perovskite AlloysAug 15, 2019Defect Physics of Pseudo-cubic Mixed Halide Lead Perovskites from First PrinciplesDec 27, 2023Square Moiré Superlattices in Twisted Two-Dimensional Halide PerovskitesApr 22, 2026Accelerating point defect simulations using data-driven and machine learning approachesJan 27, 2025Exploring the defect landscape and dopability of chalcogenide perovskite BaZrS3Oct 27, 2025DeFecT-FF: Accelerated Modeling of Defects in Cd-Zn--Te-Se-S Compounds Combining High-Throughput DFT and Machine Learning Force FieldsOct 19, 2023Discovering Novel Halide Perovskite Alloys using Multi-Fidelity Machine Learning and Genetic AlgorithmSep 12, 2023Accelerating Defect Predictions in Semiconductors Using Graph Neural NetworksMar 19, 2022Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasetsJun 5, 2019Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenidesJul 23, 2017Machine Learning and Materials Informatics: Recent Applications and ProspectsSep 28, 2023First Principles Investigation of Polymorphism in Halide PerovskitesOct 25, 2018Phonon-pump electronic-probe study of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublatticesSep 22, 2021Data-Driven Design of Novel Halide Perovskite AlloysJun 20, 2023JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design MethodsMar 25, 2015Accelerated materials property predictions and design using motif-based fingerprintsOct 7, 2025Bridging the Synthesizability Gap in Perovskites by Combining Computations, Literature Data, and PU Learning