642 citations
- Max Planck SocietyDE36 papers
- Bulgarian Academy of SciencesBG11 papers
- Chinese University of Hong KongHK7 papers
- Centre National de la Recherche ScientifiqueFR4 papers
- Delft University of TechnologyNL3 papers
- Frankfurt Institute for Advanced StudiesDE3 papers
- Goethe University FrankfurtDE3 papers
- Institute of PhysicsPL3 papers
- University of SzczecinPL3 papers
- Institute of Photonic SciencesES2 papers
- Instituto Politécnico de LisboaPT2 papers
- New York UniversityUS2 papers
13 papers · 1 filter
Adaptive Resolution Simulation of Liquid Water
Matej Praprotnik, Luigi Delle Site, Kurt Kremer +2
We present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom rep…
A novel method for measuring the bending rigidity of model lipid membranes by simulating tethers
Vagelis A. Harmandaris, Markus Deserno
The tensile force along a cylindrical lipid bilayer tube is proportional to the membrane's bending modulus and inversely proportional to the tube radius. We show that this relation…
Field - Driven Translocation of Regular Block Copolymers through a Selective Liquid - Liquid Interface
A. Corsi, A. Milchev, V. G. Rostiashvili +1
We propose a simple scaling theory describing the variation of the mean first passage time (MFPT) of a regular block copolymer of chain length and block size which…
Photonic mode density effects on single-molecule fluorescence blinking
F. D. Stefani, K. Vasilev, N. Bocchio +3
We investigated the influence of the photonic mode density (PMD) on the triplet dynamics of individual chromophores on a dielectric interface by comparing their response in the pre…
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
I. P. Hamilton, Ricardo A. Mosna, L. Delle Site
We employ a recently formulated dequantization procedure to obtain an exact expression for the kinetic energy which is applicable to all kinetic-energy functionals. We express the…
Adaptive molecular resolution via a continuous change of the phase space dimensionality
Matej Praprotnik, Kurt Kremer, Luigi Delle Site
For the study of complex synthetic and biological molecular systems by computer simulations one is still restricted to simple model systems or to by far too small time scales. To o…