| Implicit self-consistent electrolyte model in plane-wave density-functional theory K Mathew, VSC Kolluru, S Mula, SN Steinmann, RG Hennig The Journal of Chemical Physics 151 (23), 234101, 2019 | 902 | 2019 |
| Emergence of Coupled Rotor Dynamics in Metal–Organic Frameworks via Tuned Steric Interactions A Gonzalez-Nelson, S Mula, M Šimėnas, S Balčiu̅nas, AR Altenhof, ... Journal of the American Chemical Society 143 (31), 12053-12062, 2021 | 28 | 2021 |
| Structure–Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study S Mula, L Donà, B Civalleri, MA Van Der Veen ACS applied materials & interfaces 14 (45), 50803-50814, 2022 | 6 | 2022 |
| Long-Range and Coupled Rotor Dynamics in NO2-MIL-53(Al) by Classical Molecular Dynamics S Mula, J Bierkens, L Vanduyfhuys, MA van der Veen The Journal of Physical Chemistry C 128 (47), 20264-20274, 2024 | 1 | 2024 |
