| Frustrated flexibility in metal-organic frameworks R Pallach, J Keupp, K Terlinden, L Frentzel-Beyme, M Kloß, A Machalica, ... Nature communications 12 (1), 4097, 2021 | 79 | 2021 |
| Molecular dynamics simulations of the “breathing” phase transformation of MOF nanocrystallites J Keupp, R Schmid Advanced Theory and Simulations 2 (11), 1900117, 2019 | 63 | 2019 |
| Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF) P Vervoorts, J Keupp, A Schneemann, CL Hobday, D Daisenberger, ... Angewandte Chemie 133 (2), 800-806, 2021 | 50 | 2021 |
| Retrofitting metal-organic frameworks C Schneider, D Bodesheim, J Keupp, R Schmid, G Kieslich Nature communications 10 (1), 4921, 2019 | 35 | 2019 |
| TopoFF: MOF structure prediction using specifically optimized blueprints J Keupp, R Schmid Faraday discussions 211, 79-101, 2018 | 31 | 2018 |
| The impact of mesopores on the mechanical stability of HKUST‐1: A multiscale investigation JP Dürholt, J Keupp, R Schmid European Journal of Inorganic Chemistry 2016 (27), 4517-4523, 2016 | 21 | 2016 |
| Molecular insight into the swelling of a MOF: A force-field investigation of methanol uptake in MIL-88B (Fe)–Cl S Siwaipram, PA Bopp, J Keupp, L Pukdeejorhor, JC Soetens, ... The Journal of Physical Chemistry C 125 (23), 12837-12847, 2021 | 20 | 2021 |
| Molecular dynamics simulations of the breathing phase transition of MOF nanocrystallites II: explicitly modeling the pressure medium L Schaper, J Keupp, R Schmid Frontiers in Chemistry 9, 757680, 2021 | 14 | 2021 |
| Influence of flexible side-chains on the breathing phase transition of pillared layer MOFs: a force field investigation J Keupp, JP Dürholt, R Schmid Faraday Discussions 225, 324-340, 2021 | 13 | 2021 |
| Structure searching methods: general discussion M Addicoat, CS Adjiman, M Arhangelskis, GJO Beran, JG Brandenburg, ... Faraday discussions 211, 133-180, 2018 | 5 | 2018 |
| Inside Back Cover: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF)(Angew. Chem. Int. Ed. 2/2021) P Vervoorts, J Keupp, A Schneemann, CL Hobday, D Daisenberger, ... Angewandte Chemie International Edition 60 (2), 1033-1033, 2021 | 2 | 2021 |
| Innenrücktitelbild: Configurational Entropy Driven High‐Pressure Behaviour of a Flexible Metal–Organic Framework (MOF)(Angew. Chem. 2/2021). P Vervoorts, J Keupp, A Schneemann, CL Hobday, D Daisenberger, ... Angewandte Chemie 133 (2), 2021 | 1 | 2021 |
| BoFire: Bayesian Optimization Framework Intended for Real Experiments JP Dürholt, TS Asche, J Kleinekorte, G Mancino-Ball, B Schiller, S Sung, ... arXiv preprint arXiv:2408.05040, 2024 | | 2024 |
| Molecular dynamics simulations of the breathing phase transition of MOF nanocrystallites II L Schaper, J Keupp, R Schmid | | 2021 |
