| 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 | 89 | 2019 |
| A fully automated approach to calculate the melting temperature of elemental crystals LF Zhu, J Janssen, S Ishibashi, F Körmann, B Grabowski, J Neugebauer Computational Materials Science 187, 110065, 2021 | 30 | 2021 |
| Transferability of interatomic potentials for molybdenum and silicon Y Lysogorskiy, T Hammerschmidt, J Janssen, J Neugebauer, R Drautz Modelling and Simulation in Materials Science and Engineering 27 (2), 025007, 2019 | 22 | 2019 |
| FitSNAP: Atomistic machine learning with LAMMPS A Rohskopf, C Sievers, N Lubbers, MA Cusentino, J Goff, J Janssen, ... Journal of Open Source Software 8 (84), 5118, 2023 | 20 | 2023 |
| Architector for high-throughput cross-periodic table 3D complex building MG Taylor, DJ Burrill, J Janssen, ER Batista, D Perez, P Yang nature communications 14 (1), 2786, 2023 | 11 | 2023 |
| Influence of C concentration on elastic moduli of α′-Fe1-x C x alloys J Janßen, N Gunkelmann, HM Urbassek Philosophical Magazine 96 (14), 1448-1462, 2016 | 11 | 2016 |
| Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond TD Swinburne, J Janssen, M Todorova, G Simpson, P Plechac, M Luskin, ... Physical Review B 102 (10), 100101, 2020 | 6 | 2020 |
| Automated optimization of convergence parameters in plane wave density functional theory calculations via a tensor decomposition-based uncertainty quantification J Janssen, E Makarov, T Hickel, AV Shapeev, J Neugebauer arXiv preprint arXiv:2112.04081, 2021 | | 2021 |
| pyiron–an integrated development environment for ab-initio thermodynamics J Janßen Paderborn University, Germany, 2021 | | 2021 |
Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungVerified email at mpie.de
