Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich … T Zarrouk, R Ibragimova, AP Bartók, MA Caro Journal of the American Chemical Society, 2024 | 9 | 2024 |
Dynamic strain aging and the role of the Cottrell atmosphere IH Katzarov, LB Drenchev, DL Pashov, T Zarrouk, O Al-Lahham, ... Physical Review Materials 6 (6), 063603, 2022 | 3 | 2022 |
Accelerated First‐Principles Exploration of Structure and Reactivity in Graphene Oxide Z El‐Machachi, D Frantzov, A Nijamudheen, T Zarrouk, MA Caro, ... Angewandte Chemie International Edition 63 (52), e202410088, 2024 | 1 | 2024 |
Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential R Ibragimova, MS Kuklin, T Zarrouk, MA Caro Chemistry of Materials, 2024 | 1 | 2024 |
Experiment-driven atomistic materials modeling: A case study combining XPS and ML potentials to infer the structure of oxygen-rich amorphous carbon T Zarrouk, R Ibragimova, AP Bartók, MA Caro arXiv preprint arXiv:2402.03219, 2024 | 1 | 2024 |
Simple quantum-mechanical models for defects in titanium and iron—how far can they take us? T Zarrouk King's College London, 2022 | | 2022 |
Kinetic Monte Carlo Simulation of Screw Dislocations in Iron O Al-lahham, T Paxton | | 2020 |