Multimodel Approach to the Optical Properties of Molecular Dyes in Solution
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For understanding the behavior of a gas close to a channel wall it is important to model the gas-wall interactions as detailed as possible. When using molecular dynamics simulations these interactions can be modeled explicitly, but the computations are tim ...
Sequence dependent mechanics of DNA is believed to play a central role in the functioning of the cell through the expression of genetic information. Nucleosome positioning, gene regulation, DNA looping and packaging within the cell are only some of the pro ...
Amphiphilic vesicles are ubiquitous in living cells and industrially interesting as drug delivery vehicles. Vesicle self-assembly proceeds rapidly from nanometer to micrometer length scales and is too fast to image experimentally but too slow for molecular ...
Recently, a 3.65 angstrom resolution structure of the transporter, NorM from the multidrug and toxic compound extrusion family has been determined in the outward-facing conformation. This antiporter uses electrochemical gradients to drive substrate export ...
This paper describes the simulation, design, realization, and experimental test of a tapered transmission line (TL) for adapting a broad-band impulse generator to a radiating antenna, for a frequency range of 50 MHz-1 GHz. Two different taper geometries ar ...
In this paper an Iterative Learning Control (ILC) algorithm is proposed for a certain class of Linear Parameter Varying (LPV) systems whose dynamics change between iterations. Consistency of the algorithm in the presence of stochastic disturbances is shown ...
Computing realistic routes for a given road network and a known demand of vehicles is one of the most important steps when preparing a road traffic simulation. The approach developed by Christian Gawron in 1998 which we use for this purpose computes a dyna ...
Impurities are known to have a significant impact on materials properties. In particular, the presence of impurities can change mechanical properties and stabilize the microstructure by reducing grain growth and recrystallization processes. In the past ato ...
An integrated computational approach built on quantum mechanical (QM) methods, purposely tailored inter-and intra-molecular force fields and continuum solvent models combined with time-independent and timedependent schemes to account for nuclear motion eff ...
The authors present photon echo peak shift and femtosecond fluorescence up-conversion studies of nonpolar solvation dynamics of a simple nonpolar dye p-terphenyl in EtOH and cyclohexane, using excitation in the UV range at 290 nm. The UV fluorescence up-co ...