| Pnictogen–Silicon Analogues of Benzene AE Seitz, M Eckhardt, A Erlebach, EV Peresypkina, M Sierka, M Scheer Journal of the American Chemical Society 138 (33), 10433-10436, 2016 | 74 | 2016 |
| Structure evolution of nanoparticulate Fe 2 O 3 A Erlebach, HD Kurland, J Grabow, FA Müller, M Sierka Nanoscale 7 (7), 2960-2969, 2015 | 60 | 2015 |
| Structure and magnetic properties of (Fe 2 O 3) n clusters (n= 1–5) A Erlebach, C Hühn, R Jana, M Sierka Physical Chemistry Chemical Physics 16 (48), 26421-26426, 2014 | 41 | 2014 |
| Accurate large-scale simulations of siliceous zeolites by neural network potentials A Erlebach, P Nachtigall, L Grajciar npj Computational Materials 8 (1), 174, 2022 | 35 | 2022 |
| Different Reactivity of As4 towards Disilenes and Silylenes AE Seitz, M Eckhardt, SS Sen, A Erlebach, EV Peresypkina, HW Roesky, ... Angewandte Chemie International Edition 56 (23), 6655-6659, 2017 | 29 | 2017 |
| Ab Initio energetics of SiO bond cleavage C Hühn, A Erlebach, D Mey, L Wondraczek, M Sierka Journal of computational chemistry 38 (27), 2349-2353, 2017 | 23 | 2017 |
| Predicting solubility of small molecules in macromolecular compounds for nanomedicine application from atomistic simulations A Erlebach, I Muljajew, M Chi, C Bückmann, C Weber, US Schubert, ... Advanced Theory and Simulations 3 (5), 2000001, 2020 | 17 | 2020 |
| Structure Prediction of Rare Earth Doped BaO and MgO Containing Aluminosilicate Glasses–the Model Case of Gd2O3 M Zekri, A Erlebach, A Herrmann, K Damak, C Rüssel, M Sierka, R Maâlej Materials 11 (10), 1790, 2018 | 15 | 2018 |
| Kinetics of decelerated melting L Wondraczek, Z Pan, T Palenta, A Erlebach, ST Misture, M Sierka, ... Advanced Science 5 (5), 1700850, 2018 | 15 | 2018 |
| WO 3 as a nucleating agent for BaO/SrO/ZnO/SiO 2 glasses–experiments and simulations C Thieme, A Erlebach, C Patzig, K Thieme, M Sierka, T Höche, C Rüssel CrystEngComm 20 (32), 4565-4574, 2018 | 13 | 2018 |
| Thermodynamic compatibility of actives encapsulated into PEG‐PLA nanoparticles: In Silico predictions and experimental verification A Erlebach, T Ott, C Otzen, S Schubert, J Czaplewska, US Schubert, ... Journal of Computational Chemistry 37 (24), 2220-2227, 2016 | 13 | 2016 |
| The effect of glass structure and local rare earth site symmetry on the optical properties of rare earth doped alkaline earth aluminosilicate glasses A Herrmann, AA Assadi, R Lachheb, M Zekri, A Erlebach, K Damak, ... Acta Materialia 249, 118811, 2023 | 12 | 2023 |
| Constructing collective variables using invariant learned representations M Sipka, A Erlebach, L Grajciar Journal of Chemical Theory and Computation 19 (3), 887-901, 2023 | 12 | 2023 |
| Block Copolymers Composed of PEtOx and Polyesteramides Based on Glycolic Acid, l-Valine, and l-Isoleucine M Dirauf, A Erlebach, C Weber, S Hoeppener, JR Buchheim, M Sierka, ... Macromolecules 53 (9), 3580-3590, 2020 | 12 | 2020 |
| A polyesteramide library from dicarboxylic acids and 2, 2′-bis (2-oxazoline): Synthesis, characterization, nanoparticle formulation and molecular dynamics simulations I Muljajew, A Erlebach, C Weber, JR Buchheim, M Sierka, US Schubert Polymer Chemistry 11 (1), 112-124, 2020 | 12 | 2020 |
| The Structure of Gd3+-Doped Li2O and K2O Containing Aluminosilicate Glasses from Molecular Dynamics Simulations M Zekri, A Herrmann, A Erlebach, K Damak, C Rüssel, M Sierka, R Maâlej Materials 14 (12), 3265, 2021 | 11 | 2021 |
| Parametrization in models of subcritical glass fracture: activation offset and concerted activation BP Rodrigues, C Hühn, A Erlebach, D Mey, M Sierka, L Wondraczek Frontiers in Materials 4, 20, 2017 | 11 | 2017 |
| A reactive neural network framework for water-loaded acidic zeolites A Erlebach, M Šípka, I Saha, P Nachtigall, CJ Heard, L Grajciar Nature Communications 15 (1), 4215, 2024 | 10 | 2024 |
| Effect of Al2O3 on phase formation and thermal expansion of a BaO-SrO-ZnO-SiO2 glass ceramic C Thieme, M Kracker, A Erlebach, C Patzig, M Sierka, T Hoeche, ... Ceramics International 44 (2), 2098-2108, 2018 | 7 | 2018 |
| The need for operando modelling of 27 Al NMR in zeolites: the effect of temperature, topology and water C Lei, A Erlebach, F Brivio, L Grajciar, Z Tošner, CJ Heard, P Nachtigall Chemical Science 14 (34), 9101-9113, 2023 | 5 | 2023 |
Marek SierkaOtto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena在 uni-jena.de 的电子邮件经过验证
