Publications | Dept. Kremer

Journal Article (55)

1.
Journal Article
Lin, K.-H.; Wetzelaer, G.-J. A. H.; Blom, P. W. M.; Andrienko, D.: Virtual Screening of TADF Emitters for Single-Layer OLEDs. Frontiers in Chemistry 9, 800027 (2021)
2.
Journal Article
Lin, K.-H.; Paterson, L.; May, F.; Andrienko, D.: Glass transition temperature prediction of disordered molecular solids. npj Computational Materials 7 (1), 179 (2021)
3.
Journal Article
Joshi, B. L.; Graf, R.; Gindra, S.; Vilgis, T. A.: Effect of different derivatives of paraffin waxes on crystallization of eutectic mixture of cocoa butter-coconut oil. Current Research in Food Science 4, pp. 784 - 799 (2021)
4.
Journal Article
Barua, S.; Tudu, K.; Rakshit, M.; Srivastav, P. P.: Characterization and digestogram modeling of modified elephant foot yam (Amorphophallus paeoniifolius) starch using ultrasonic pretreated autoclaving. Journal of food process engineering 44 (11), e13841 (2021)
5.
Journal Article
Via, M. A.; Bächle, M.; Stephan, A.; Vilgis, T. A.; Clausen, M. P.: Microscopic characterization of fatty liver-based emulsions: Bridging microstructure and texture in foie gras and pâté. Physics of Fluids 33 (11), 117119 (2021)
6.
Journal Article
Andrienko, D.: A personal recollection: A tribute to Yuriy Reznikov. Journal of Molecular Liquids 340, 108152 (2021)
7.
Journal Article
Markina, A.; Lin, K.-H.; Liu, W.; Poelking, C.; Firdaus, Y.; Villalva, D. R.; Khan, J. I.; Paleti, S. H. K.; Harrison, G. T.; Gorenflot, J. et al.; Zhang, W.; De Wolf, S.; McCulloch, I.; Anthopoulos, T. D.; Baran, D.; Laquai, F.; Andrienko, D.: Chemical Design Rules for Non-Fullerene Acceptors in Organic Solar Cells. Advanced Energy Materials 11 (44), 2102363 (2021)
8.
Journal Article
Mondal, P.; Cazade, P.-A.; Das, A. K.; Bereau, T.; Meuwly, M.: Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry B 125 (19), pp. 10928 - 10938 (2021)
9.
Journal Article
Barua, S.; Khuntia, A.; Srivastav, P. P.; Vilgis, T. A.: Understanding the native and hydrothermally modified elephant foot yam (Amorphophallus paeoniifolius) starch system: A multivariate approach. LWT - Food Science and Technology 150, 111958 (2021)
10.
Journal Article
Cabanas, A. M.; Rivas, R.; Perez, L. M.; Velez, J. A.; Diaz, P.; Clerc, M. G.; Pleiner, H.; Laroze, D.; Malomed, B. A.: A quasi-periodic route to chaos in a parametrically driven nonlinear medium. Chaos, Solitons and Fractals 151, 111089 (2021)
11.
Journal Article
Li, Y.; Jiang, L.; Liu, W.; Xu, S.; Li, T.-Y.; Fries, F.; Zeika, O.; Zou, Y.; Ramanan, C.; Lenk, S. et al.; Scholz, R.; Andrienko, D.; Feng, X.; Leo, K.; Reineke, S.: Reduced Intrinsic Non-Radiative Losses Allow Room-Temperature Triplet Emission from Purely Organic Emitters. Advanced Materials 33 (39), 2101844 (2021)
12.
Journal Article
Iscen, A.; Forero-Martinez, N. C.; Valsson, O.; Kremer, K.: Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants. The Journal of Physical Chemistry B 125 (38), pp. 10854 - 10865 (2021)
13.
Journal Article
Signorini, L. F.; Perego, C.; Potestio, R.: Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study. The Journal of Chemical Physics 155 (11), 115101 (2021)
14.
Journal Article
Petersen, N.; Meyer, S.; Heinze, S.: Tuning exchange interactions in antiferromagnetic Fe/W(001) by 4d transition-metal overlayers. Physical Review B 104 (10), 104416 (2021)
15.
Journal Article
Zhao, Y.; Kremer, K.: Proline Isomerization Regulates the Phase Behavior of Elastin-Like Polypeptides in Water. The Journal of Physical Chemistry B 125 (34), pp. 9751 - 9756 (2021)
16.
Journal Article
Steuer, J.; Kukharenko, O.; Riedmiller, K.; Hartig, J. S.; Peter, C.: Guanidine-II aptamer conformations and ligand binding modes through the lens of molecular simulation. Nucleic Acids Research (London) 49 (14), pp. 7954 - 7965 (2021)
17.
Journal Article
Khan, J. I.; Alamoudi, M. A.; Chaturvedi, N.; Ashraf, R. S.; Nabi, M. N.; Markina, A.; Liu, W.; Dela Pena, T. A.; Zhang, W.; Aleveque, O. et al.; Harrison, G. T.; Alsufyani, W.; Levillain, E.; De Wolf, S.; Andrienko, D.; McCulloch, I.; Laquai, F.: Impact of Acceptor Quadrupole Moment on Charge Generation and Recombination in Blends of IDT-Based Non-Fullerene Acceptors with PCE10 as Donor Polymer. Advanced Energy Materials 11 (28), 2100839 (2021)
18.
Journal Article
Mondal, A.; Paterson, L.; Cho, J.; Lin, K.-H.; van der Zee, B.; Wetzelaer, G.-J. A. H.; Stankevych, A.; Vakhnin, A.; Kim, J.-J.; Kadashchuk, A. et al.; Blom, P. W. M.; May, F.; Andrienko, D.: Molecular library of OLED host materials - Evaluating the multiscale simulation workflow. Chemical Physics Reviews 2 (3), 031304 (2021)
19.
Journal Article
Rydzewski, J.; Valsson, O.: Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling. The Journal of Physical Chemistry A 125 (28), pp. 6286 - 6302 (2021)
20.
Journal Article
Santra, A.; Dünweg, B.; Prakash, R. J.: Universal scaling and characterization of gelation in associative polymer solutions. Journal of Rheology 65 (4), pp. 549 - 581 (2021)
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