| Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium M Poul, L Huber, E Bitzek, J Neugebauer Physical Review B 107 (10), 104103, 2023 | 17 | 2023 |
| Dislocation-assisted particle dissolution: a new hypothesis for abnormal growth of Goss grains in grain-oriented electrical steels C Yilmaz, M Poul, L Lahn, D Raabe, S Zaefferer Acta Materialia, 119170, 2023 | 12 | 2023 |
| Quantifying free energies through local composition fluctuations in binary solid solutions: A proof-of-concept study using atomistic embedded-atom simulations D Bitter, M Poul, G Schmitz, SM Eich Acta Materialia 268, 119781, 2024 | 2 | 2024 |
| Extracting free energies from local composition fluctuations in solids: A frequency distribution analysis of simulated atom probe data obtained by TAPSim J Zheng, M Poul, G Schmitz, SM Eich Acta Materialia 269, 119807, 2024 | 1 | 2024 |
| From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron S Menon, Y Lysogorskiy, ALM Knoll, N Leimeroth, M Poul, M Qamar, ... arXiv preprint arXiv:2403.05724, 2024 | 1 | 2024 |
| Automated Generation of Structure Datasets for Machine Learning Potentials and Alloys M Poul, L Huber, J Neugebauer | | 2024 |
| Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model R Dsouza, M Poul, L Huber, TD Swinburne, J Neugebauer Physical Review B 109 (6), 064108, 2024 | | 2024 |
| Construction and application of defect phase diagrams: Concepts and computational approaches J Neugebauer, M Poul, P Mathews, A Tehranchi, J Yang, M Todorova, ... Thermec 2023, 2023 | | 2023 |
| Defect phase diagrams: Concepts, computational approaches and applications J Neugebauer, M Poul, P Mathews, A Tehranchi, J Yang, M Todorova, ... DPG-Frühjahrstagung (DPG Spring Meeting), 2023 | | 2023 |
| Defect Free Energies L Huber, R Dsouza, M Poul, J Neugebauer Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) Seminar …, 2021 | | 2021 |
