Publikationen | AK Kremer

Petersen, N.; Girard, M.; Riedinger, A.; Valsson, O.: The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets. Nano Letters 22 (24), S. 9847 - 9853 (2022)

Shmilovich, K.; Stieffenhofer, M.; Charron, N. E.; Hoffmann, M.: Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution. The Journal of Physical Chemistry A 126 (48), S. 9124 - 9139 (2022)

Dutta, A.; Bereau, T.; Vilgis, T. A.: Identifying Sequential Residue Patterns in Bitter and Umami Peptides. ACS Food Science & Technology 2 (11), S. 1773 - 1780 (2022)

Poelking, C.; Benduhn, J.; Spoltore, D.; Schwarze, M.; Roland, S.; Piersimoni, F.; Neher, D.; Leo, K.; Koen, V.; Andrienko, D.: Open-circuit voltage of organic solar cells: interfacial roughness makes the difference. Communications Physics 5 (1), 307 (2022)

Samy, M. M.; Mekhemer, I. M. A.; Mohamed, M. G.; Elsayed, M. H.; Lin, K.-H.; Chen, Y.-K.; Wu, T.-L.; Chou, H.-H.; Kuo, S.-W.: Conjugated microporous polymers incorporating Thiazolo[5,4-d]thiazole moieties for Sunlight-Driven hydrogen production from water. Chemical Engineering Journal 443 (Part 3), 137158 (2022)

Wang, S.; Frisch, S.; Zhang, H.; Yildiz, O.; Mandal, M.; Ugur, N.; Jeong, B.; Ramanan, C.; Andrienko, D.; Wang, H. I. et al.; Bonn, M.; Blom, P. W. M.; Kivala, M.; Pisula, W.; Marszalek, T.: Grain engineering for improved charge carrier transport in two-dimensional lead-free perovskite field-effect transistors. Materials Horizons 10 (9), S. 2633 - 2643 (2022)

Kanekal, K.; Rudzinski, J. F.; Bereau, T.: Broad chemical transferability in structure-based coarse-graining. The Journal of Chemical Physics 157 (10), 104102 (2022)

Stieffenhofer, M.; Scherer, C.; May, F.; Bereau, T.; Andrienko, D.: Benchmarking coarse-grained models of organic semiconductors via deep backmapping. Frontiers in Chemistry 10, 982757 (2022)

Kapaev, R. R.; Zhugayevych, A.; Ryazantsev, S. V.; Aksyonov, D. A.; Novichkov, D.; Matveev, P. I.; Stevenson, K. J.: Charge storage mechanisms of a ᴨ–d conjugated polymer for advanced alkali-ion battery anodes. Chemical Science 13 (27), S. 8161 - 8170 (2022)

Liu, J.; De Bastiani, M.; Aydin, E.; Harrison, G. T.; Gao, Y.; Pradhan, R. R.; Eswaran, M. K.; Mandal, M.; Yan, W.; Seitkhan, A. et al.; Babics, M.; Subbiah, A. S.; Ugur, E.; Xu, F.; Xu, L.; Wang, M.; Rehman, A. u.; Razzaq, A.; Kang, J.; Azmi, R.; Said, A. A.; Isikgor, F. H.; Allen, T. G.; Andrienko, D.; Schwingenschlögl, U.; Laquai, F.; De Wolf, S.: Efficient and stable perovskite-silicon tandem solar cells through contact displacement by MgF_x. Science 377 (6603), S. 302 - 306 (2022)

Yuce, H.; Mandal, M.; Yalcinkaya, Y.; Andrienko, D.; Demir, M. M.: Improvement of Photophysical Properties of CsPbBr3 and Mn2+:CsPb(Br,Cl)(3) Perovskite Nanocrystals by Sr2+ Doping for White Light-Emitting Diodes. Journal of Physical Chemistry C 126 (27), S. 11277 - 11284 (2022)

Pampel, B.; Valsson, O.: Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials. Journal of Chemical Theory and Computation 18 (7), S. 4127 - 4141 (2022)

Naujoks, T.; Jayabalan, R.; Kirsch, C.; Zu, F.; Mandal, M.; Wahl, J.; Waibel, M.; Opitz, A.; Koch, N.; Andrienko, D. et al.; Scheele, M.; Brütting, W.: Quantum Efficiency Enhancement of Lead-Halide Perovskite Nanocrystal LEDs by Organic Lithium Salt Treatment. ACS Applied Materials and Interfaces 14 (25), S. 28985 - 28996 (2022)

Scheffler, M.; Aeschlimann, M.; Albrecht, M.; Bereau, T.; Bungartz, H.-J.; Felser, C.; Greiner, M.; Groß, A.; Koch, C. T.; Kremer, K. et al.; Nagel, W. E.; Scheidgen, M.; Wöll, C.; Draxl, C.: FAIR data enabling new horizons for materials research. Nature 604 (7907), S. 635 - 642 (2022)

Ghebremedhin, M.; Bächle, M.; Vilgis, T. A.: Meat-, vegetarian-, and vegan sausages: Comparison of mechanics, friction, and structure. Physics of Fluids 34 (4), 047112 (2022)

Kumar, P.; Mahato, D. K.; Gupta, A.; Pandhi, S.; Mishra, S.; Barua, S.; Tyagi, V.; Kumar, A.; Kumar, M.; Kamle, M.: Use of essential oils and phytochemicals against the mycotoxins producing fungi for shelf-life enhancement and food preservation. International journal of food science & technology 57 (4), S. 2171 - 2184 (2022)

Ma, S.; Liu, W.; Köhn, A.: Adsorption Geometries and Electronic Properties of a Dipolar Phosphonate-Based Monolayer on the NiO Surface. The Journal of Physical Chemistry C 126 (12), S. 5793 - 5804 (2022)

Wood, E. L.; Greco, C.; Ivanov, D. A.; Kremer, K.; Daoulas, K. C.: Mesoscopic Modeling of a Highly-Ordered Sanidic Polymer Mesophase and Comparison With Experimental Data. The Journal of Physical Chemistry B 126 (11), S. 2285 - 2298 (2022)

Vishwakarma, S.; Panigrahi, C.; Barua, S.; Sahoo, M.; Mandliya, S.: Food nutrients as inherent sources of immunomodulation during COVID-19 pandemic. LWT - Food Science and Technology 158, 113154 (2022)

Banerjee, A.; Sevilla, M.; Rudzinski, J. F.; Cortes Huerto, R.: Finite-size scaling and thermodynamics of model supercooled liquids: long-range concentration fluctuations and the role of attractive interactions. Soft Matter 18 (12), S. 2373 - 2382 (2022)