Publikationen | AK Kremer

Zeitschriftenartikel (40)

1.
Zeitschriftenartikel
Baumeier, B.; Rohlfing, M.; Andrienko, D.: Electronic Excitations in Push-Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding. Journal of Chemical Theory and Computation 10 (8), S. 3104 - 3110 (2014)
2.
Zeitschriftenartikel
Bereau, T.; von Lilienfeld, O. A.: Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion. The Journal of Chemical Physics 141 (3), 034101 (2014)
3.
Zeitschriftenartikel
Bereau, T.; Wang, Z. J.; Deserno, M.: More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization. The Journal of Chemical Physics 140 (11), 115101 (2014)
4.
Zeitschriftenartikel
Brand, H. R.; Pleiner, H.: Macroscopic behavior of ferronematic gels and elastomers. European Physical Journal E 37 (12 ), 122 (2014)
5.
Zeitschriftenartikel
Brand, H. R.; Pleiner, H.; Svensek, D.: Reversible and dissipative macroscopic contributions to the stress tensor: Active or passive? European Physical Journal E 37 (9), 83 (2014)
6.
Zeitschriftenartikel
Brereton, T.; Stenzel, O.; Baumeier, B.; Andrienko, D.; Schmidt, V.; Kroese, D.: Efficient Simulation of Markov Chains Using Segmentation. Methodology and Computing in Applied Probability 16 (2), S. 465 - 484 (2014)
7.
Zeitschriftenartikel
Butt, H.-J.; Duran, H.; Egger, W.; Faupel, F.; Harmandaris, V.; Harms, S.; Johnston, K.; Kremer, K.; Lin, F.-Y.; Lue, L. et al.; Ohrt, C.; Raetzke, K.; Ravelli, L.; Steffen, W.; Vianna, S. D. B.: Interphase of a Polymer at a Solid Interface. Macromolecules 47 (23), S. 8459 - 8465 (2014)
8.
Zeitschriftenartikel
Cazade, P. A.; Bereau, T.; Meuwly, M.: Computational Two-Dimensional Infrared Spectroscopy without Maps: N-Methylacetamide in Water. The Journal of Physical Chemistry B 118 (28), S. 8135 - 8147 (2014)
9.
Zeitschriftenartikel
Dommert, F.; Wendler, K.; Qiao, B.; Delle Site, L.; Holm, C.: Generic force fields for ionic liquids. Journal of Molecular Liquids 192, S. 32 - 37 (2014)
10.
Zeitschriftenartikel
Dubbeldam, J. L. A.; Rostiashvili, V. G.; Vilgis, T. A.: Driven translocation of a polymer: Role of pore friction and crowding. The Journal of Chemical Physics 141 (12 ), 124112 (2014)
11.
Zeitschriftenartikel
Fritsch, S.; Potestio, R.; Donadio, D.; Kremer, K.: Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 10 (2), S. 816 - 824 (2014)
12.
Zeitschriftenartikel
Halverson, J. D.; Smrek, J.; Kremer, K.; Grosberg, A. Y.: From a melt of rings to chromosome territories: the role of topological constraints in genome folding. Reports on Progress in Physics 77 (2), 022601 (2014)
13.
Zeitschriftenartikel
Howard, I. A.; Meister, M.; Baumeier, B.; Wonneberger, H.; Pschirer, N.; Sens, R.; Bruder, I.; Li, C.; Müllen, K.; Andrienko, D. et al.; Laquai, F.: Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells. Advanced Energy Materials 4 (2), 1300640 (2014)
14.
Zeitschriftenartikel
Hsu, H.-P.: Monte Carlo simulations of lattice models for single polymer systems. The Journal of Chemical Physics 141 (16), 164903 (2014)
15.
Zeitschriftenartikel
Hsu, H.-P.: Lattice Monte Carlo simulations of polymer melts. The Journal of Chemical Physics 141 (23 ), 234901 (2014)
16.
Zeitschriftenartikel
Jain, A.; Jochum, M.; Peter, C.: Molecular Dynamics Simulations of Peptides at the Air-Water Interface: Influencing Factors on Peptide-Templated Mineralization. Langmuir 30 (51), S. 15486 - 15495 (2014)
17.
Zeitschriftenartikel
Kahlen, J.; Salimi, L.; Sulpizi, M.; Peter, C.; Donadio, D.: Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields. Journal of Physical Chemistry B 118 (14), S. 3960 - 3972 (2014)
18.
Zeitschriftenartikel
Kordt, P.; Stenzel, O.; Baumeier, B.; Schmidt, V.; Andrienko, D.: Parametrization of Extended Gaussian Disorder Models from Microscopic Charge Transport Simulations. Journal of Chemical Theory and Computation 10 (6), S. 2508 - 2513 (2014)
19.
Zeitschriftenartikel
Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.: A unified framework for force-based and energy-based adaptive resolution simulations. EPL 108 (3), 30007 (2014)
20.
Zeitschriftenartikel
Manaselyan, A. K.; Barseghyan, M. G.; Kirakosyan, A. A.; Laroze, D.; Duque, C. A.: Effects of applied lateral electric field and hydrostatic pressure on the intraband optical transitions in a GaAs/Ga1-xAlxAs quantum ring. Physica E: Low-Dimensional Systems And Nanostructures 60, S. 95 - 99 (2014)
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