| Atomic cluster expansion for accurate and transferable interatomic potentials R Drautz Physical Review B 99 (1), 014104, 2019 | 577 | 2019 |
| On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys J Frenzel, A Wieczorek, I Opahle, B Maaß, R Drautz, G Eggeler Acta Materialia 90, 213-231, 2015 | 428 | 2015 |
| First-principles study on the interaction of H interstitials with grain boundaries in - and -Fe YA Du, L Ismer, J Rogal, T Hickel, J Neugebauer, R Drautz Physical Review B—Condensed Matter and Materials Physics 84 (14), 144121, 2011 | 293 | 2011 |
| Metallic NiPS3@NiOOH Core–Shell Heterostructures as Highly Efficient and Stable Electrocatalyst for the Oxygen Evolution Reaction B Konkena, J Masa, AJR Botz, I Sinev, W Xia, J Koßmann, R Drautz, ... Acs Catalysis 7 (1), 229-237, 2017 | 254 | 2017 |
| Magnetism and thermodynamics of defect-free Fe-Cr alloys TPC Klaver, R Drautz, MW Finnis Physical Review B—Condensed Matter and Materials Physics 74 (9), 094435, 2006 | 240 | 2006 |
| New Superconducting and Semiconducting Fe-B Compounds Predicted <?format ?>with an Ab Initio Evolutionary Search AN Kolmogorov, S Shah, ER Margine, AF Bialon, T Hammerschmidt, ... Physical review letters 105 (21), 217003, 2010 | 228 | 2010 |
| TCP phase predictions in Ni-based superalloys: structure maps revisited B Seiser, R Drautz, DG Pettifor Acta Materialia 59 (2), 749-763, 2011 | 216 | 2011 |
| Diffusion of solutes in fcc Cobalt investigated by diffusion couples and first principles kinetic Monte Carlo S Neumeier, HU Rehman, J Neuner, CH Zenk, S Michel, S Schuwalow, ... Acta Materialia 106, 304-312, 2016 | 170 | 2016 |
| Monte Carlo study of thermodynamic properties and clustering in the bcc Fe-Cr system MY Lavrentiev, R Drautz, D Nguyen-Manh, TPC Klaver, SL Dudarev Physical Review B 75 (1), 014208, 2007 | 165 | 2007 |
| Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ... npj computational materials 7 (1), 97, 2021 | 146 | 2021 |
| Structure and magnetism in bcc-based iron-cobalt alloys A Díaz-Ortiz, R Drautz, M Fähnle, H Dosch, JM Sanchez Physical Review B—Condensed Matter and Materials Physics 73 (22), 224208, 2006 | 124 | 2006 |
| Atomic cluster expansion: Completeness, efficiency and stability G Dusson, M Bachmayr, G Csányi, R Drautz, S Etter, C van Der Oord, ... Journal of Computational Physics 454, 110946, 2022 | 121 | 2022 |
| First-principles study of carbon segregation in bcc iron symmetrical tilt grain boundaries J Wang, R Janisch, GKH Madsen, R Drautz Acta Materialia 115, 259-268, 2016 | 116 | 2016 |
| Valence-dependent analytic bond-order potential for transition metals R Drautz, DG Pettifor Physical Review B—Condensed Matter and Materials Physics 74 (17), 174117, 2006 | 112 | 2006 |
| Spin-cluster expansion: Parametrization of the general adiabatic magnetic energy surface with ab initio accuracy R Drautz, M Fähnle Physical Review B 69 (10), 104404, 2004 | 111 | 2004 |
| Atomic cluster expansion of scalar, vectorial, and tensorial properties including magnetism and charge transfer R Drautz Physical Review B 102 (2), 024104, 2020 | 98 | 2020 |
| pyiron: An integrated development environment for computational materials science J Janssen, S Surendralal, Y Lysogorskiy, M Todorova, T Hickel, R Drautz, ... Computational Materials Science 163, 24-36, 2019 | 98 | 2019 |
| Analytic bond-order potential for the gallium arsenide system DA Murdick, XW Zhou, HNG Wadley, D Nguyen-Manh, R Drautz, ... Physical Review B—Condensed Matter and Materials Physics 73 (4), 045206, 2006 | 98 | 2006 |
| The design space of e (3)-equivariant atom-centered interatomic potentials I Batatia, S Batzner, DP Kovács, A Musaelian, GNC Simm, R Drautz, ... arXiv preprint arXiv:2205.06643, 2022 | 93 | 2022 |
| On the role of Re in the stress and temperature dependence of creep of Ni-base single crystal superalloys P Wollgramm, H Buck, K Neuking, AB Parsa, S Schuwalow, J Rogal, ... Materials Science and Engineering: A 628, 382-395, 2015 | 91 | 2015 |
