| LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of Computational Chemistry 37 (11), 1030-1035, 2016 | 2207 | 2016 |
| Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids S Maintz, VL Deringer, AL Tchougréeff, R Dronskowski Journal of computational chemistry 34 (29), 2557-2567, 2013 | 1365 | 2013 |
| Bonding nature of local structural motifs in amorphous GeTe VL Deringer, W Zhang, M Lumeij, S Maintz, M Wuttig, R Mazzarello, ... Angewandte Chemie International Edition 53 (40), 10817-10820, 2014 | 151 | 2014 |
| Efficient Rotation of Local Basis Functions Using Real Spherical Harmonics S Maintz, M Esser, R Dronskowski ACTA PHYSICA POLONICA B 47, 1165-1175, 2016 | 141 | 2016 |
| Unexpected Ge–Ge Contacts in the Two‐Dimensional Ge4Se3Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function M Küpers, PM Konze, S Maintz, S Steinberg, AM Mio, O Cojocaru‐Mirédin, ... Angewandte Chemie International Edition 56 (34), 10204-10208, 2017 | 77 | 2017 |
| Speeding up plane-wave electronic-structure calculations using graphics-processing units S Maintz, B Eck, R Dronskowski Computer Physics Communications 182 (7), 1421-1427, 2011 | 69 | 2011 |
| β‐CuN3: The Overlooked Ground‐State Polymorph of Copper Azide with Heterographene‐Like Layers X Liu, J George, S Maintz, R Dronskowski Angewandte Chemie International Edition 54 (6), 1954-1959, 2015 | 35 | 2015 |
| Strategies to Accelerate VASP with GPUs Using OpenACC S Maintz, M Wetzstein Proceedings of the Cray User Group, 2018 | 17 | 2018 |
| Automated first‐principles mapping for phase‐change materials M Esser, S Maintz, R Dronskowski Journal of Computational Chemistry 38 (9), 620-628, 2017 | 12 | 2017 |
| β‐CuN3: die übersehene Grundzustandsmodifikation des Kupferazids mit heterographenartigen Schichten X Liu, J George, S Maintz, R Dronskowski Angewandte Chemie 127 (6), 1977-1982, 2015 | 6 | 2015 |
| Unerwartete Ge‐Ge‐Kontakte in der zweidimensionalen Phase Ge4Se3Te und Analyse ihres chemischen Ursprungs mittels Energiedichte (DOE)‐Funktion M Küpers, PM Konze, S Maintz, S Steinberg, AM Mio, O Cojocaru‐Mirédin, ... Angewandte Chemie 129 (34), 10338-10342, 2017 | 5 | 2017 |
| Bindungseigenschaften lokaler Strukturmotive in amorphem GeTe VL Deringer, W Zhang, M Lumeij, S Maintz, M Wuttig, R Mazzarello, ... Angewandte Chemie 126 (40), 10993-10997, 2014 | 3 | 2014 |
| Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations A Tal, M Marsman, G Kresse, A Anders, S Rodriguez, K Kim, A Kalinkin, ... ISC High Performance 2024 Research Paper Proceedings (39th International …, 2024 | | 2024 |
| VASP Performance on HPE Cray EX Based on NVIDIA A100 GPUs and AMD Milan CPUs Z Zhao, B Austin, S Maintz, M Marsman Proceedings of the Cray User Group, 2023 | | 2023 |
| cuVASP: A GPU-Accelerated Plane-Wave Electronic-Structure Code S Maintz, B Eck, R Dronskowski High Performance Computing in Science and Engineering'11: Transactions of …, 2012 | | 2012 |
| Electronic Structure of Transition Metal Complexes with Phthalocyanines S Maintz Proceedings of the JSC Guest Student Programme on Scientific Computing, 53-69, 2009 | | 2009 |
