“On-the-fly” coupled cluster-based path-integral molecular dynamics simulations predict that the effective potential of the protonated water–dimer has a single-well only.
}}, author = {{Spura, Thomas and Elgabarty, Hossam and Kühne, Thomas}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{22}}, pages = {{14355--14359}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer}}}, doi = {{10.1039/c4cp05192k}}, volume = {{17}}, year = {{2015}}, } @article{31293, author = {{Weich, Tobias}}, issn = {{0010-3616}}, journal = {{Communications in Mathematical Physics}}, keywords = {{Mathematical Physics, Statistical and Nonlinear Physics}}, number = {{2}}, pages = {{727--765}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Resonance Chains and Geometric Limits on Schottky Surfaces}}}, doi = {{10.1007/s00220-015-2359-z}}, volume = {{337}}, year = {{2015}}, } @article{35332, author = {{Xu, Yang and Laupheimer, Michaela and Preisig, Natalie and Sottmann, Thomas and Schmidt, Claudia and Stubenrauch, Cosima}}, issn = {{0743-7463}}, journal = {{Langmuir}}, keywords = {{Electrochemistry, Spectroscopy, Surfaces and Interfaces, Condensed Matter Physics, General Materials Science}}, number = {{31}}, pages = {{8589--8598}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Gelled Lyotropic Liquid Crystals}}}, doi = {{10.1021/acs.langmuir.5b01992}}, volume = {{31}}, year = {{2015}}, } @inproceedings{48838, abstract = {{The majority of algorithms can be controlled or adjusted by parameters. Their values can substantially affect the algorithms’ performance. Since the manual exploration of the parameter space is tedious – even for few parameters – several automatic procedures for parameter tuning have been proposed. Recent approaches also take into account some characteristic properties of the problem instances, frequently termed instance features. Our contribution is the proposal of a novel concept for feature-based algorithm parameter tuning, which applies an approximating surrogate model for learning the continuous feature-parameter mapping. To accomplish this, we learn a joint model of the algorithm performance based on both the algorithm parameters and the instance features. The required data is gathered using a recently proposed acquisition function for model refinement in surrogate-based optimization: the profile expected improvement. This function provides an avenue for maximizing the information required for the feature-parameter mapping, i.e., the mapping from instance features to the corresponding optimal algorithm parameters. The approach is validated by applying the tuner to exemplary evolutionary algorithms and problems, for which theoretically grounded or heuristically determined feature-parameter mappings are available.}}, author = {{Bossek, Jakob and Bischl, Bernd and Wagner, Tobias and Rudolph, Günter}}, booktitle = {{Proceedings of the Genetic and Evolutionary Computation Conference}}, isbn = {{978-1-4503-3472-3}}, keywords = {{evolutionary algorithms, model-based optimization, parameter tuning}}, pages = {{1319–1326}}, publisher = {{Association for Computing Machinery}}, title = {{{Learning Feature-Parameter Mappings for Parameter Tuning via the Profile Expected Improvement}}}, doi = {{10.1145/2739480.2754673}}, year = {{2015}}, } @article{39694, author = {{Zimmermann, Natalie and Jünnemann-Held, Gisela and Collings, Peter J. and Kitzerow, Heinz-Siegfried}}, issn = {{1744-683X}}, journal = {{Soft Matter}}, keywords = {{Condensed Matter Physics, General Chemistry}}, number = {{8}}, pages = {{1547--1553}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Self-organized assemblies of colloidal particles obtained from an aligned chromonic liquid crystal dispersion}}}, doi = {{10.1039/c4sm02579b}}, volume = {{11}}, year = {{2015}}, } @article{39688, author = {{Urbanski, Martin and Mirzaei, Javad and Sharma, Anshul and Hofmann, Daniel and Kitzerow, Heinz-Siegfried and Hegmann, Torsten}}, issn = {{0267-8292}}, journal = {{Liquid Crystals}}, keywords = {{Condensed Matter Physics, General Materials Science, General Chemistry}}, number = {{2}}, pages = {{183--194}}, publisher = {{Informa UK Limited}}, title = {{{Chemically and thermally stable, emissive carbon dots as viable alternatives to semiconductor quantum dots for emissive nematic liquid crystal–nanoparticle mixtures with lower threshold voltage}}}, doi = {{10.1080/02678292.2015.1082651}}, volume = {{43}}, year = {{2015}}, } @article{39689, author = {{Wahle, Markus and Kitzerow, Heinz-Siegfried}}, issn = {{0003-6951}}, journal = {{Applied Physics Letters}}, keywords = {{Physics and Astronomy (miscellaneous)}}, number = {{20}}, publisher = {{AIP Publishing}}, title = {{{Electrically tunable zero dispersion wavelengths in photonic crystal fibers filled with a dual frequency addressable liquid crystal}}}, doi = {{10.1063/1.4936086}}, volume = {{107}}, year = {{2015}}, } @article{38037, author = {{Rösler, Margit and Voit, Michael}}, issn = {{1815-0659}}, journal = {{Symmetry, Integrability and Geometry: Methods and Applications}}, keywords = {{Geometry and Topology, Mathematical Physics, Analysis}}, number = {{013}}, pages = {{18pp}}, publisher = {{SIGMA (Symmetry, Integrability and Geometry: Methods and Application)}}, title = {{{A Central Limit Theorem for Random Walks on the Dual of a Compact Grassmannian}}}, doi = {{10.3842/sigma.2015.013}}, volume = {{11}}, year = {{2015}}, } @article{38086, author = {{Tiranov, Alexey and Lavoie, Jonathan and Ferrier, Alban and Goldner, Philippe and Verma, Varun B. and Nam, Sae Woo and Mirin, Richard P. and Lita, Adriana E. and Marsili, Francesco and Herrmann, Harald and Silberhorn, Christine and Gisin, Nicolas and Afzelius, Mikael and Bussières, Félix}}, issn = {{2334-2536}}, journal = {{Optica}}, keywords = {{Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials}}, number = {{4}}, publisher = {{The Optical Society}}, title = {{{Storage of hyperentanglement in a solid-state quantum memory}}}, doi = {{10.1364/optica.2.000279}}, volume = {{2}}, year = {{2015}}, } @article{38087, author = {{Covi, M. and Pressl, B. and Günthner, T. and Laiho, K. and Krapick, Stefan and Silberhorn, Christine and Weihs, G.}}, issn = {{0946-2171}}, journal = {{Applied Physics B}}, keywords = {{General Physics and Astronomy, Physics and Astronomy (miscellaneous), General Engineering}}, number = {{3}}, pages = {{489--495}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Liquid-nitrogen cooled, free-running single-photon sensitive detector at telecommunication wavelengths}}}, doi = {{10.1007/s00340-015-6019-y}}, volume = {{118}}, year = {{2015}}, } @article{41060, abstract = {{We apply high-energy-resolution fluorescence-detected (HERFD) X-ray absorption near-edge structure (XANES) spectroscopy to study iron carbonyl complexes.
}}, author = {{Atkins, Andrew J. and Bauer, Matthias and Jacob, Christoph R.}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{21}}, pages = {{13937--13948}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{High-resolution X-ray absorption spectroscopy of iron carbonyl complexes}}}, doi = {{10.1039/c5cp01045d}}, volume = {{17}}, year = {{2015}}, }