TURBOMOLE: Today and tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of chemical theory and computation 19 (20), 6859-6890, 2023 | 114 | 2023 |
First-principles study of the structural and electronic properties of bulk ZnS and small Zn n S n nanoclusters in the framework of the DFT+U method M Sharma, D Mishra, J Kumar Physical Review B 100 (4), 2019 | 27 | 2019 |
Real‐time time‐dependent density functional theory using density fitting and the continuous fast multipole method C Müller, M Sharma, M Sierka Journal of Computational Chemistry, 2020 | 21 | 2020 |
CrysX: crystallographic tools for the Android platform M Sharma, D Mishra Journal of Applied Crystallography 52 (6), 1449-1454, 2019 | 13 | 2019 |
Efficient implementation of density functional theory based embedding for molecular and periodic systems using gaussian basis functions M Sharma, M Sierka Journal of Chemical Theory and Computation 18 (11), 6892-6904, 2022 | 12 | 2022 |
Resonance effect in Brunel harmonic generation in thin film organic semiconductors W Li, A Saleh, M Sharma, C Hünecke, M Sierka, M Neuhaus, L Hedewig, ... Advanced Optical Materials 11 (16), 2203070, 2023 | 6 | 2023 |
α‑Fe2O3 preparation by Sol–Gel method M Sharma Lab Manual, 1-16, 2017 | 4 | 2017 |
DFT+ U study of small ZnO nanoclusters M Sharma, D Mishra AIP Conference Proceedings 2142 (1), 2019 | 3 | 2019 |
Optical Gaps of Ionic Materials from GW/BSE-in-DFT and CC2-in-DFT M Sharma, M Sierka Journal of Chemical Theory and Computation 20 (21), 9592-9605, 2024 | | 2024 |
Density Functional Theory Based Embedding for Molecular and Periodic Systems M Sharma Friedrich Schiller University Jena, 2024 | | 2024 |
Resonance Effect in Brunel Harmonic Generation in Thin Film Organic Semiconductors (Advanced Optical Materials 16/2023) W Li, A Saleh, M Sharma, C Hünecke, M Sierka, M Neuhaus, L Hedewig, ... Advanced Optical Materials 11 (16), 2370058, 2023 | | 2023 |
ICQNN 2022 Poster–Density Functional Theory Based Embedding for Molecular and Periodic Systems M Sharma | | |
Density Functional Embedding Scheme for Molecules and Periodic Systems M Sharma, M Sierka | | |
WATOC-2020 (2022) Poster–DENSITY FUNCTIONAL EMBEDDING SCHEME FOR MOLECULES AND PERIODIC SYSTEMS M Sharma | | |
DENSITY FUNCTIONAL EMBEDDING SCHEME FOR MOLECULES AND PERIODIC SYSTEMS COUPLED WITH WAVE FUNCTION METHODS AND REAL TIME-TIME DEPENDENT DENSITY FUNCTIONAL THEORY M Sharma, M Sierka | | |