Journal Article (55)
21.
Journal Article
147 (24), 244104 (2017)
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics 22.
Journal Article
272, pp. 267 - 291 (2017)
Charge Carrier Generation, Recombination, and Extraction in Polymer-Fullerene Bulk Heterojunction Organic Solar Cells. Advances in Polymer Science 23.
Journal Article
56 (33), pp. 9796 - 9801 (2017)
Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111). Angewandte Chemie International Edition 24.
Journal Article
8 (17), pp. 4155 - 4160 (2017)
Macroscopic Structural Compositions of pi-Conjugated Polymers: Combined Insights from Solid-State NMR and Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 25.
Journal Article
147 (12), 125101 (2017)
In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force. The Journal of Chemical Physics 26.
Journal Article
146 (24), 244908 (2017)
Thermodynamics of star polymer solutions: A coarse-grained study. The Journal of Chemical Physics 27.
Journal Article
147 (11), 114501 (2017)
Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales. The Journal of Chemical Physics 28.
Journal Article
59 (1), pp. 119 - 124 (2017)
How does poly(N-isopropylacrylamide) trigger phase separation in aqueous alcohol? Polymer Science, Series C 29.
Journal Article
8, 1374 (2017)
Depleted depletion drives polymer swelling in poor solvent mixtures. Nature Communications 30.
Journal Article
13 (12), pp. 2292 - 2294 (2017)
Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol''' by N. van der Vegt and F. Rodriguez-Ropero, Soft Matter, 2017, 13, DOI: 10.1039/C6SM02139E. Soft Matter 31.
Journal Article
13 (42), pp. 7701 - 7703 (2017)
Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol''' by A. Pica and G. Graziano, Soft Matter, 2017, 13, DOI: 10.1039/C7SM01065F. Soft Matter 32.
Journal Article
130, pp. 88 - 101 (2017)
Comparison of two coarse-grained models of cis-polyisoprene with and without pressure correction. Polymer 33.
Journal Article
8 (19), pp. 4752 - 4756 (2017)
Conformational Entropy as Collective Variable for Proteins. The Journal of Physical Chemistry Letters 34.
Journal Article
121 (31), pp. 16783 - 16791 (2017)
Dissociative Adsorption of Water at (211) Stepped Metallic Surfaces by First-Principles Simulations. The Journal of Physical Chemistry C 35.
Journal Article
444, pp. 432 - 438 (2017)
Magneto-viscous effect on thermal convection thresholds in an Oldroyd magnetic fluid. Journal of Magnetism and Magnetic Materials 36.
Journal Article
119 (9), 097802 (2017)
Dynamic Magneto-optic Coupling in a Ferromagnetic Nematic Liquid Crystal. Physical Review Letters 37.
Journal Article
118 (5), 055702 (2017)
Enhanced Crystal Growth in Binary Lennard-Jones Mixtures. Physical Review Letters 38.
Journal Article
6 (3), pp. 241 - 246 (2017)
Synthesis of Peptide-Functionalized Poly(bis-sulfone) Copolymers Regulating HIV-1 Entry and Cancer Stem Cell Migration. ACS Macro Letters 39.
Journal Article
13 (5), pp. 2185 - 2201 (2017)
Extended Ensemble Approach to Transferable Potentials for Low Resolution Coarse-Grained Models of Ionomers. Journal of Chemical Theory and Computation 40.
Journal Article
114 (2), pp. 227 - 232 (2017)
Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice. Proceedings of the National Academy of Sciences of the United States of America