Publications | Dept. Kremer
Journal Article (41)
1.
Journal Article
46 (11), 117 (2023)
Chilling alcohol on the computer: isothermal compressibility and the formation of hydrogen-bond clusters in liquid propan-1-ol. European Physical Journal E 2.
Journal Article
19 (22), pp. 8481 - 8490 (2023)
Benchmark Data Set of Crystalline Organic Semiconductors. Journal of Chemical Theory and Computation 3.
Journal Article
127 (35), pp. 17624 - 17636 (2023)
Balancing the Push-Pull Effect on the Synthesis and Fluorescent Properties of New ESIPT Dyes for Thin Film Applications. The Journal of Physical Chemistry C 4.
Journal Article
22, pp. 1114 - 1120 (2023)
Elimination of charge-carrier trapping by molecular design. Nature Materials 5.
Journal Article
19 (3), pp. 694 - 752 (2023)
Technology licensing and collusion. International journal of economic theory 6.
Journal Article
290, 108760 (2023)
Code modernization strategies for short-range non-bonded molecular dynamics simulations. Computer Physics Communications 7.
Journal Article
14, 5121 (2023)
Data-mining unveils structure-property-activity correlation of viral infectivity enhancing self-assembling peptides. Nature Communications 8.
Journal Article
159 (7), 071104 (2023)
Glass transition temperature of (ultra-)thin polymer films. The Journal of Chemical Physics 9.
Journal Article
159 (6), 064504 (2023)
External concentration gradients can drive a propagating wave in a coherently layered system of nanosheets. The Journal of Chemical Physics 10.
Journal Article
11 (15), pp. 5251 - 5261 (2023)
Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings. Biomaterials Science 11.
Journal Article
2023 (2023)
Physics of Starch System: Rheological and Mechanical Properties of Hydrothermally Modified Elephant Foot Yam Starch. Food Biophysics 12.
Journal Article
19 (8), e1010531 (2023)
Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes. PLoS Computational Biology 13.
Journal Article
19 (14), pp. 4770 - 4779 (2023)
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of Chemical Theory and Computation 14.
Journal Article
12 (7), pp. 841 - 847 (2023)
Stabilizing α-Helicity of a Polypeptide in Aqueous Urea: Dipole Orientation or Hydrogen Bonding? ACS Macro Letters 15.
Journal Article
159 (2), 024107 (2023)
Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors. The Journal of Chemical Physics 16.
Journal Article
10 (18), 2207472 (2023)
Free Standing Dry and Stable Nanoporous Polymer Films Made through Mechanical Deformation. Advanced Science 17.
Journal Article
127 (24), pp. 5494 - 5508 (2023)
Water Harvesting by Thermoresponsive Ionic Liquids: A Molecular Dynamics Study of the Water Absorption Kinetics and of the Role of Nanostructuring. Journal of Physical Chemistry B 18.
Journal Article
8 (22), e202301018 (2023)
N-Chlorosuccinimide Mediated Direct C-H Thiocyanation of 1-Aryl-5-pyrazolones at Room Temperature. ChemistrySelect 19.
Journal Article
122 (11), pp. 2092 - 2098 (2023)
Induced asymmetries in membranes. Biophysical Journal 20.
Journal Article
35 (6), 064120 (2023)
Crystallization in highly supersaturated, agitated sucrose solutions. Physics of Fluids