Journal Article (573)
481.
Journal Article
142 (22), 221102 (2015)
Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics 482.
Journal Article
10 (8), pp. 3104 - 3110 (2014)
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 483.
Journal Article
141 (3), 034101 (2014)
Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion. The Journal of Chemical Physics 484.
Journal Article
140 (11), 115101 (2014)
More than the sum of its parts: Coarse-grained peptide-lipid interactions from a simple cross-parametrization. The Journal of Chemical Physics 485.
Journal Article
37 (12 ), 122 (2014)
Macroscopic behavior of ferronematic gels and elastomers. European Physical Journal E 486.
Journal Article
37 (9), 83 (2014)
Reversible and dissipative macroscopic contributions to the stress tensor: Active or passive? European Physical Journal E 487.
Journal Article
16 (2), pp. 465 - 484 (2014)
Efficient Simulation of Markov Chains Using Segmentation. Methodology and Computing in Applied Probability 488.
Journal Article
47 (23), pp. 8459 - 8465 (2014)
Interphase of a Polymer at a Solid Interface. Macromolecules 489.
Journal Article
118 (28), pp. 8135 - 8147 (2014)
Computational Two-Dimensional Infrared Spectroscopy without Maps: N-Methylacetamide in Water. The Journal of Physical Chemistry B 490.
Journal Article
192, pp. 32 - 37 (2014)
Generic force fields for ionic liquids. Journal of Molecular Liquids 491.
Journal Article
141 (12 ), 124112 (2014)
Driven translocation of a polymer: Role of pore friction and crowding. The Journal of Chemical Physics 492.
Journal Article
10 (2), pp. 816 - 824 (2014)
Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 493.
Journal Article
77 (2), 022601 (2014)
From a melt of rings to chromosome territories: the role of topological constraints in genome folding. Reports on Progress in Physics 494.
Journal Article
4 (2), 1300640 (2014)
Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells. Advanced Energy Materials 495.
Journal Article
141 (16), 164903 (2014)
Monte Carlo simulations of lattice models for single polymer systems. The Journal of Chemical Physics 496.
Journal Article
141 (23 ), 234901 (2014)
Lattice Monte Carlo simulations of polymer melts. The Journal of Chemical Physics 497.
Journal Article
30 (51), pp. 15486 - 15495 (2014)
Molecular Dynamics Simulations of Peptides at the Air-Water Interface: Influencing Factors on Peptide-Templated Mineralization. Langmuir 498.
Journal Article
118 (14), pp. 3960 - 3972 (2014)
Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields. Journal of Physical Chemistry B 499.
Journal Article
10 (6), pp. 2508 - 2513 (2014)
Parametrization of Extended Gaussian Disorder Models from Microscopic Charge Transport Simulations. Journal of Chemical Theory and Computation 500.
Journal Article
108 (3), 30007 (2014)
A unified framework for force-based and energy-based adaptive resolution simulations. EPL