| Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies: The Importance of Local Anharmonicity Revealed by Ab initio Thermodynamics A Glensk, B Grabowski, T Hickel, J Neugebauer Physical Review X 4 (1), 011018, 2014 | 212 | 2014 |
| Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation A Glensk, B Grabowski, T Hickel, J Neugebauer Physical review letters 114 (19), 195901, 2015 | 136 | 2015 |
| Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC AI Duff, T Davey, D Korbmacher, A Glensk, B Grabowski, J Neugebauer, ... Physical Review B 91 (21), 214311, 2015 | 106 | 2015 |
| Perspectives on point defect thermodynamics J Rogal, SV Divinski, MW Finnis, A Glensk, J Neugebauer, JH Perepezko, ... physica status solidi (b) 251 (1), 97-129, 2014 | 82 | 2014 |
| Machine learning for metallurgy I. A neural-network potential for Al-Cu D Marchand, A Jain, A Glensk, WA Curtin Physical review materials 4 (10), 103601, 2020 | 75 | 2020 |
| Anomalous Phonon Lifetime Shortening in Paramagnetic CrN Caused by Spin-Lattice Coupling: A Combined Spin and Ab Initio Molecular Dynamics Study I Stockem, A Bergman, A Glensk, T Hickel, F Körmann, B Grabowski, ... Physical Review Letters 121 (12), 125902, 2018 | 69 | 2018 |
| Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni Y Gong, B Grabowski, A Glensk, F Körmann, J Neugebauer, RC Reed Physical Review B 97 (21), 214106, 2018 | 67 | 2018 |
| Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics B Alling, F Körmann, B Grabowski, A Glensk, IA Abrikosov, J Neugebauer Physical Review B 93 (22), 224411, 2016 | 55 | 2016 |
| An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al S Bigdeli, LF Zhu, A Glensk, B Grabowski, B Lindahl, T Hickel, M Selleby Calphad 65, 79-85, 2019 | 36 | 2019 |
| Machine learning for metallurgy III: A neural network potential for Al-Mg-Si ACP Jain, D Marchand, A Glensk, M Ceriotti, WA Curtin Physical Review Materials 5 (5), 053805, 2021 | 31 | 2021 |
| Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio A Glensk, B Grabowski, T Hickel, J Neugebauer, J Neuhaus, K Hradil, ... Physical review letters 123 (23), 235501, 2019 | 24 | 2019 |
| Random phase approximation up to the melting point: Impact of anharmonicity and nonlocal many-body effects on the thermodynamics of Au B Grabowski, S Wippermann, A Glensk, T Hickel, J Neugebauer Physical Review B 91 (20), 201103, 2015 | 23 | 2015 |
| Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system M Schick, B Hallstedt, A Glensk, B Grabowski, T Hickel, M Hampl, ... Calphad 37, 77-86, 2012 | 20 | 2012 |
| Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the to transformation in titanium D Korbmacher, A Glensk, AI Duff, MW Finnis, B Grabowski, J Neugebauer Physical Review B 100 (10), 104110, 2019 | 12 | 2019 |
| Effects of Aluminum on Hydrogen Solubility and Diffusion in Deformed Fe‐Mn Alloys C Hüter, S Dang, X Zhang, A Glensk, R Spatschek Advances in materials science and engineering 2016 (1), 4287186, 2016 | 5 | 2016 |
| Anharmonic contributions to ab initio computed thermodynamic material properties A Glensk Ph. D. Thesis, 2015 | 3 | 2015 |
| A Timely Contribution to a Half-Century-Old Topic A Glensk, B Grabowski, T Hickel, J Neugebauer Phys. Rev Phys Rev X 4 (4), 010001, 2014 | 2 | 2014 |
| First Results C Approaches Archaeometry, 0 | 2 | |
| Coupled spin dynamics and ab initio molecular dynamics approach for paramagnetic materials I Stockem, A Bergman, A Glensk, B Grabowski, F Körmann, T Hickel, ... APS March Meeting Abstracts 2019, E21. 003, 2019 | | 2019 |
| From Thermodynamics to phonon lifetimes: Anharmonic calculations with ab initio accuracy A Glensk CECAM workshop: Anharmonicity and thermal properties of solids, 2018 | | 2018 |
Jörg NeugebauerDirector, Max-Planck-Institut für Eisenforschung在 mpie.de 的电子邮件经过验证
