Computing Resources Provided by the Paderborn Center for Parallel Computing
Acronym
PC2
Description
Um Publikationen zu sammeln, die unter Nutzung der PC2-Ressourcen entstanden sind
465 Publications
2019 | Conference Paper | LibreCat-ID: 10232
Automating Multi-Label Classification Extending ML-Plan
M.D. Wever, F. Mohr, A. Tornede, E. Hüllermeier, in: 2019.
LibreCat
| Files available
M.D. Wever, F. Mohr, A. Tornede, E. Hüllermeier, in: 2019.
2018 | Journal Article | LibreCat-ID: 10016
Unraveling the Oxidation and Spin State of Mn–Corrole through X-ray Spectroscopy and Quantum Chemical Analysis
M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger, W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical Chemistry Letters (2018) 6412–6420.
LibreCat
| DOI
M. Paszkiewicz, T. Biktagirov, H. Aldahhak, F. Allegretti, E. Rauls, W. Schöfberger, W.G. Schmidt, J.V. Barth, U. Gerstmann, F. Klappenberger, The Journal of Physical Chemistry Letters (2018) 6412–6420.
2014 | Journal Article | LibreCat-ID: 10035
Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model
Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).
LibreCat
| DOI
Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).
2018 | Journal Article | LibreCat-ID: 13248
Liner Shipping Single Service Design Problem with Arrival Time Service Levels
K. Tierney, J.F. Ehmke, A.M. Campbell, D. Müller, Flexible Services and Manufacturing Journal (2018) 620–652.
LibreCat
| DOI
K. Tierney, J.F. Ehmke, A.M. Campbell, D. Müller, Flexible Services and Manufacturing Journal (2018) 620–652.
2019 | Conference Paper | LibreCat-ID: 13250
Hyper-Reactive Tabu Search for MaxSAT
C. Ansótegui, B. Heymann, J. Pon, M. Sellmann, K. Tierney, in: Learning and Intelligent Optimization, Springer International Publishing, Cham, 2019, pp. 309–325.
LibreCat
| DOI
C. Ansótegui, B. Heymann, J. Pon, M. Sellmann, K. Tierney, in: Learning and Intelligent Optimization, Springer International Publishing, Cham, 2019, pp. 309–325.
2019 | Journal Article | LibreCat-ID: 13274
Kirkwood-Buff Integration: A Promising Route to Entropic Properties?
R. Fingerhut, J. Vrabec, Fluid Phase Equilibria (2019) 270–281.
LibreCat
| DOI
R. Fingerhut, J. Vrabec, Fluid Phase Equilibria (2019) 270–281.
2017 | Journal Article | LibreCat-ID: 13279
Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom
M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E.J. García, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, C.W. Glass, J. Lenhard, J. Vrabec, H. Hasse, Journal of Chemical Theory and Computation 13 (2017) 4270–4280.
LibreCat
| DOI
M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E.J. García, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, C.W. Glass, J. Lenhard, J. Vrabec, H. Hasse, Journal of Chemical Theory and Computation 13 (2017) 4270–4280.
2017 | Journal Article | LibreCat-ID: 13281
How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?
G. Rutkai, M. Thol, R. Span, J. Vrabec, Molecular Physics 115 (2017) 1104–1121.
LibreCat
| DOI
G. Rutkai, M. Thol, R. Span, J. Vrabec, Molecular Physics 115 (2017) 1104–1121.
2018 | Journal Article | LibreCat-ID: 13286
Observation and Uses of Position-Space Bloch Oscillations in an Ultracold Gas
Z.A. Geiger, K.M. Fujiwara, K. Singh, R. Senaratne, S.V. Rajagopal, M. Lipatov, T. Shimasaki, R. Driben, V.V. Konotop, T. Meier, D.M. Weld, Physical Review Letters 120 (2018).
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| DOI
Z.A. Geiger, K.M. Fujiwara, K. Singh, R. Senaratne, S.V. Rajagopal, M. Lipatov, T. Shimasaki, R. Driben, V.V. Konotop, T. Meier, D.M. Weld, Physical Review Letters 120 (2018).
2017 | Journal Article | LibreCat-ID: 13332
Anisotropic excitons and their contributions to shift current transients in bulk GaAs
R. Podzimski, H.T. Duc, T. Meier, Physical Review B 96 (2017).
LibreCat
| DOI
R. Podzimski, H.T. Duc, T. Meier, Physical Review B 96 (2017).
2019 | Preprint | LibreCat-ID: 13337
Realization of all-optical vortex switching in exciton-polariton condensates
X. Ma, B. Berger, M. Assmann, R. Driben, T. Meier, C. Schneider, S. Höfling, S. Schumacher, ArXiv:1907.03171 (2019).
LibreCat
X. Ma, B. Berger, M. Assmann, R. Driben, T. Meier, C. Schneider, S. Höfling, S. Schumacher, ArXiv:1907.03171 (2019).
2019 | Journal Article | LibreCat-ID: 13344
Bloch oscillations of multidimensional dark soliton wave packets and light bullets
R. Driben, X. Ma, S. Schumacher, T. Meier, Optics Letters 44 (2019).
LibreCat
| DOI
R. Driben, X. Ma, S. Schumacher, T. Meier, Optics Letters 44 (2019).
2018 | Journal Article | LibreCat-ID: 13351
Microscopic theory of cavity-enhanced single-photon emission from optical two-photon Raman processes
D. Breddermann, T. Praschan, D.F. Heinze, R. Binder, S. Schumacher, Physical Review B 97 (2018).
LibreCat
| DOI
D. Breddermann, T. Praschan, D.F. Heinze, R. Binder, S. Schumacher, Physical Review B 97 (2018).
2014 | Conference Paper | LibreCat-ID: 13154
Common Fate Graph Patterns in Monte Carlo Tree Search for Computer Go
T. Graf, M. Platzner, in: 2014 IEEE Conference on Computational Intelligence and Games, 2014, pp. 1–8.
LibreCat
| DOI
T. Graf, M. Platzner, in: 2014 IEEE Conference on Computational Intelligence and Games, 2014, pp. 1–8.
2019 | Journal Article | LibreCat-ID: 13185
New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts
R.D. Rittinghaus, P.M. Schäfer, P. Albrecht, C. Conrads, A. Hoffmann, A.N. Ksiazkiewicz, O. Bienemann, A. Pich, S. Herres-Pawlis, ChemSusChem 12 (2019) 2161–2165.
LibreCat
| DOI
R.D. Rittinghaus, P.M. Schäfer, P. Albrecht, C. Conrads, A. Hoffmann, A.N. Ksiazkiewicz, O. Bienemann, A. Pich, S. Herres-Pawlis, ChemSusChem 12 (2019) 2161–2165.
2017 | Journal Article | LibreCat-ID: 13200
Geometrically Disordered Network Models, Quenched Quantum Gravity, and Critical Behavior at Quantum Hall Plateau Transitions
I. Gruzberg, A. Klümper, W. Nuding, A. Sedrakyan, Phys. Rev. B 95 (2017) 125414.
LibreCat
| DOI
I. Gruzberg, A. Klümper, W. Nuding, A. Sedrakyan, Phys. Rev. B 95 (2017) 125414.
2019 | Journal Article | LibreCat-ID: 13236
Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design
R. Walczak, A. Savateev, J. Heske, N.V. Tarakina, S. Sahoo, J.D. Epping, T.D. Kühne, B. Kurpil, M. Antonietti, M. Oschatz, Sustainable Energy Fuels (2019).
LibreCat
| DOI
R. Walczak, A. Savateev, J. Heske, N.V. Tarakina, S. Sahoo, J.D. Epping, T.D. Kühne, B. Kurpil, M. Antonietti, M. Oschatz, Sustainable Energy Fuels (2019).
2017 | Journal Article | LibreCat-ID: 13356
Vortex-vortex control in exciton-polariton condensates
X. Ma, S. Schumacher, Physical Review B 95 (2017).
LibreCat
| DOI
X. Ma, S. Schumacher, Physical Review B 95 (2017).
2019 | Conference Abstract | LibreCat-ID: 13394
Numerische Untersuchungen zum Stofftransport und Fluidmechanik bei der Tropfenbildung
C. Wecker, A. Schulz, J. Heine, H.-J. Bart, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stofftransport, Essen, 2019.
LibreCat
C. Wecker, A. Schulz, J. Heine, H.-J. Bart, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stofftransport, Essen, 2019.
2019 | Conference Abstract | LibreCat-ID: 13399
Reduktion von parasitären Strömungen in Mehrphasensimulationen durch Verwendung der Height-Function Methode
A. Zibart, E. Kenig, in: ProcessNet-Fachgruppe Computational Fluid Dynamics, Frankfurt, 2019.
LibreCat
A. Zibart, E. Kenig, in: ProcessNet-Fachgruppe Computational Fluid Dynamics, Frankfurt, 2019.
2018 | Journal Article | LibreCat-ID: 13407
Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(i)–disulfide complex
M. Naumova, D. Khakhulin, M. Rebarz, M. Rohrmüller, B. Dicke, M. Biednov, A. Britz, S. Espinoza, B. Grimm-Lebsanft, M. Kloz, N. Kretzschmar, A. Neuba, J. Ortmeyer, R. Schoch, J. Andreasson, M. Bauer, C. Bressler, W.G. Schmidt, G. Henkel, M. Rübhausen, Physical Chemistry Chemical Physics (2018) 6274–6286.
LibreCat
| DOI
M. Naumova, D. Khakhulin, M. Rebarz, M. Rohrmüller, B. Dicke, M. Biednov, A. Britz, S. Espinoza, B. Grimm-Lebsanft, M. Kloz, N. Kretzschmar, A. Neuba, J. Ortmeyer, R. Schoch, J. Andreasson, M. Bauer, C. Bressler, W.G. Schmidt, G. Henkel, M. Rübhausen, Physical Chemistry Chemical Physics (2018) 6274–6286.
2017 | Journal Article | LibreCat-ID: 13414
Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides
A. Riefer, W.G. Schmidt, Physical Review B 96 (2017).
LibreCat
| DOI
A. Riefer, W.G. Schmidt, Physical Review B 96 (2017).
2017 | Journal Article | LibreCat-ID: 13419
Optically excited structural transition in atomic wires on surfaces at the quantum limit
T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Mikšić Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W.G. Schmidt, Nature 544 (2017) 207–211.
LibreCat
| DOI
T. Frigge, B. Hafke, T. Witte, B. Krenzer, C. Streubühr, A. Samad Syed, V. Mikšić Trontl, I. Avigo, P. Zhou, M. Ligges, D. von der Linde, U. Bovensiepen, M. Horn-von Hoegen, S. Wippermann, A. Lücke, S. Sanna, U. Gerstmann, W.G. Schmidt, Nature 544 (2017) 207–211.
2017 | Journal Article | LibreCat-ID: 13421
Understanding band alignments in semiconductor heterostructures: Composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
LibreCat
| DOI
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
2017 | Journal Article | LibreCat-ID: 13426
Tuning the conductivity along atomic chains by selective chemisorption
F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).
LibreCat
| DOI
F. Edler, I. Miccoli, J.P. Stöckmann, H. Pfnür, C. Braun, S. Neufeld, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B 95 (2017).
2016 | Journal Article | LibreCat-ID: 13476
Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State
N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry 55 (2016) 11694–11706.
LibreCat
| DOI
N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G. Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry 55 (2016) 11694–11706.
2016 | Journal Article | LibreCat-ID: 13488
Atomic size effects studied by transport in single silicide nanowires
I. Miccoli, F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B (2016).
LibreCat
| DOI
I. Miccoli, F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S. Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B (2016).
2015 | Journal Article | LibreCat-ID: 13495
Diindenoperylene adsorption on Cu(111) studied with density-functional theory
H. Aldahhak, E. Rauls, W.G. Schmidt, Surface Science (2015) 260–265.
LibreCat
| DOI
H. Aldahhak, E. Rauls, W.G. Schmidt, Surface Science (2015) 260–265.
2014 | Journal Article | LibreCat-ID: 13508
Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918.
LibreCat
| DOI
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918.
2014 | Journal Article | LibreCat-ID: 13510
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
LibreCat
| DOI
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2014) 2146–2161.
2014 | Journal Article | LibreCat-ID: 13515
Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge
S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
LibreCat
| DOI
S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
2013 | Journal Article | LibreCat-ID: 13522
Adsorption of PTCDA on NaCl(100) and KCl(100)
H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science 617 (2013) 242–248.
LibreCat
| DOI
H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science 617 (2013) 242–248.
2013 | Journal Article | LibreCat-ID: 13527
Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory
M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational Chemistry 34 (2013) 1035–1045.
LibreCat
| DOI
M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational Chemistry 34 (2013) 1035–1045.
2012 | Journal Article | LibreCat-ID: 13534
Atomistic Picture of Charge Density Wave Formation at Surfaces
S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012).
LibreCat
| DOI
S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012).
2012 | Journal Article | LibreCat-ID: 13539
Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force microscopy
S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 86 (2012).
LibreCat
| DOI
S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 86 (2012).
2012 | Journal Article | LibreCat-ID: 13541
Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2
M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt, Physical Review B 86 (2012).
LibreCat
| DOI
M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt, Physical Review B 86 (2012).
2012 | Journal Article | LibreCat-ID: 13546
2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response
A. Riefer, E. Rauls, W.G. Schmidt, J. Eberhard, I. Stoll, J. Mattay, Physical Review B 85 (2012).
LibreCat
| DOI
A. Riefer, E. Rauls, W.G. Schmidt, J. Eberhard, I. Stoll, J. Mattay, Physical Review B 85 (2012).
2012 | Journal Article | LibreCat-ID: 13560
Adsorption of OH and H at the LiNbO3(0001) surface
R. Hölscher, S. Sanna, W.G. Schmidt, Physica Status Solidi (C) 9 (2012) 1361–1365.
LibreCat
| DOI
R. Hölscher, S. Sanna, W.G. Schmidt, Physica Status Solidi (C) 9 (2012) 1361–1365.
2011 | Journal Article | LibreCat-ID: 13565
Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System
S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger, K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011) 6480–6486.
LibreCat
| DOI
S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger, K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011) 6480–6486.
2015 | Journal Article | LibreCat-ID: 13818
A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry
A. Neuba, M. Rohrmüller, R. Hölscher, W.G. Schmidt, G. Henkel, Inorganica Chimica Acta 430 (2015) 225–238.
LibreCat
| DOI
A. Neuba, M. Rohrmüller, R. Hölscher, W.G. Schmidt, G. Henkel, Inorganica Chimica Acta 430 (2015) 225–238.
2012 | Journal Article | LibreCat-ID: 13820
In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator transition
W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann, Physica Status Solidi (B) 249 (2012) 343–359.
LibreCat
| DOI
W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann, Physica Status Solidi (B) 249 (2012) 343–359.
2011 | Journal Article | LibreCat-ID: 13825
Barium titanate ground- and excited-state properties from first-principles calculations
S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical Review B 83 (2011).
LibreCat
| DOI
S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical Review B 83 (2011).
2010 | Journal Article | LibreCat-ID: 13832
First-principles study of water adsorption and a high-density interfacial ice structure on(1×1)-O/Rh(111)
C. Thierfelder, W.G. Schmidt, Physical Review B 82 (2010).
LibreCat
| DOI
C. Thierfelder, W.G. Schmidt, Physical Review B 82 (2010).
2019 | Journal Article | LibreCat-ID: 14020
Undiscovered potential: Ge catalysts for lactide polymerization
S. Herres-Pawlis, R.D. Rittinghaus, J. Tremmel, A. Ruzicka, C. Conrads, P. Albrecht, A. Hoffmann, A. Ksiazkiewicz, A. Pich, R. Jambor, Chemistry – A European Journal (2019).
LibreCat
| DOI
S. Herres-Pawlis, R.D. Rittinghaus, J. Tremmel, A. Ruzicka, C. Conrads, P. Albrecht, A. Hoffmann, A. Ksiazkiewicz, A. Pich, R. Jambor, Chemistry – A European Journal (2019).
2009 | Journal Article | LibreCat-ID: 13577
The physics of highly ordered molecular rows
S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (C) 7 (2009) 153–156.
LibreCat
| DOI
S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (C) 7 (2009) 153–156.
2019 | Conference Paper | LibreCat-ID: 13647
Quantification of frequency-dependent absorption phenomena
L. Claes, S. Johannesmann, E. Baumhögger, B. Henning, in: 2019 International Congress on Ultrasonics, 2019.
LibreCat
| DOI
L. Claes, S. Johannesmann, E. Baumhögger, B. Henning, in: 2019 International Congress on Ultrasonics, 2019.
2009 | Journal Article | LibreCat-ID: 13659
Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures
S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 113 (2009) 12653–12657.
LibreCat
| DOI
S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 113 (2009) 12653–12657.
2008 | Journal Article | LibreCat-ID: 13666
Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
LibreCat
| DOI
S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
2007 | Journal Article | LibreCat-ID: 13678
Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Physical Review Letters 99 (2007).
2007 | Journal Article | LibreCat-ID: 13680
Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110)
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
LibreCat
| DOI
S. Blankenburg, W.G. Schmidt, Nanotechnology 18 (2007).
2019 | Conference Paper | LibreCat-ID: 15794
Convolutional Recurrent Neural Network and Data Augmentation for Audio Tagging with Noisy Labels and Minimal Supervision
J. Ebbers, R. Haeb-Umbach, in: DCASE2019 Workshop, New York, USA, 2019.
LibreCat
| Files available
J. Ebbers, R. Haeb-Umbach, in: DCASE2019 Workshop, New York, USA, 2019.
2016 | Journal Article | LibreCat-ID: 15852
Experimental realization of a polariton beam amplifier
D. Niemietz, J. Schmutzler, P. Lewandowski, K. Winkler, M. Aßmann, S. Schumacher, S. Brodbeck, M. Kamp, C. Schneider, S. Höfling, M. Bayer, Physical Review B (2016).
LibreCat
| DOI
D. Niemietz, J. Schmutzler, P. Lewandowski, K. Winkler, M. Aßmann, S. Schumacher, S. Brodbeck, M. Kamp, C. Schneider, S. Höfling, M. Bayer, Physical Review B (2016).
2019 | Conference Abstract | LibreCat-ID: 15249
Modellierung und Optimierung von makroverkapselten Latentwärmespeicherelementen
M. Grabo, S. Christoph, E. Kenig, in: 2019.
LibreCat
M. Grabo, S. Christoph, E. Kenig, in: 2019.
2020 | Conference Paper | LibreCat-ID: 15629
LiBRe: Label-Wise Selection of Base Learners in Binary Relevance for Multi-Label Classification
M.D. Wever, A. Tornede, F. Mohr, E. Hüllermeier, in: Springer, n.d.
LibreCat
M.D. Wever, A. Tornede, F. Mohr, E. Hüllermeier, in: Springer, n.d.
2017 | Journal Article | LibreCat-ID: 16317
The Connection between NHC Ligand Count and Photophysical Properties in Fe(II) Photosensitizers: An Experimental Study
P. Zimmer, L. Burkhardt, A. Friedrich, J. Steube, A. Neuba, R. Schepper, P. Müller, U. Flörke, M. Huber, S. Lochbrunner, M. Bauer, Inorganic Chemistry (2017) 360–373.
LibreCat
| DOI
P. Zimmer, L. Burkhardt, A. Friedrich, J. Steube, A. Neuba, R. Schepper, P. Müller, U. Flörke, M. Huber, S. Lochbrunner, M. Bauer, Inorganic Chemistry (2017) 360–373.
2015 | Journal Article | LibreCat-ID: 16331
Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex
C. Wilfer, P. Liebhäuser, A. Hoffmann, H. Erdmann, O. Grossmann, L. Runtsch, E. Paffenholz, R. Schepper, R. Dick, M. Bauer, M. Dürr, I. Ivanović-Burmazović, S. Herres-Pawlis, Chemistry - A European Journal (2015) 17639–17649.
LibreCat
| DOI
C. Wilfer, P. Liebhäuser, A. Hoffmann, H. Erdmann, O. Grossmann, L. Runtsch, E. Paffenholz, R. Schepper, R. Dick, M. Bauer, M. Dürr, I. Ivanović-Burmazović, S. Herres-Pawlis, Chemistry - A European Journal (2015) 17639–17649.
2015 | Journal Article | LibreCat-ID: 15857
How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers
D. Di Nuzzo, C. Fontanesi, R. Jones, S. Allard, I. Dumsch, U. Scherf, E. von Hauff, S. Schumacher, E. Da Como, Nature Communications (2015).
LibreCat
| DOI
D. Di Nuzzo, C. Fontanesi, R. Jones, S. Allard, I. Dumsch, U. Scherf, E. von Hauff, S. Schumacher, E. Da Como, Nature Communications (2015).
2014 | Journal Article | LibreCat-ID: 15864
Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes
H. Liu, S. Schumacher, T. Meier, Physical Review B (2014).
LibreCat
| DOI
H. Liu, S. Schumacher, T. Meier, Physical Review B (2014).
2012 | Journal Article | LibreCat-ID: 15869
Spectral Signatures of Polarons in Conjugated Co-polymers
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.
LibreCat
| DOI
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.
2013 | Journal Article | LibreCat-ID: 15871
Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields
H. Liu, S. Schumacher, T. Meier, Physical Review B (2013).
LibreCat
| DOI
H. Liu, S. Schumacher, T. Meier, Physical Review B (2013).
2018 | Journal Article | LibreCat-ID: 15876
Top-down design of tailored fiber-metal laminates
A.A. Camberg, K. Engelkemeier, J. Dietrich, T. Heggemann, Lightweight Design Worldwide 11 (2018) 24–29.
LibreCat
| DOI
A.A. Camberg, K. Engelkemeier, J. Dietrich, T. Heggemann, Lightweight Design Worldwide 11 (2018) 24–29.
2017 | Journal Article | LibreCat-ID: 15941
Experimental and numerical crushing analysis of circular CFRP tubes under axial impact loading
C. Reuter, K.-H. Sauerland, T. Tröster, Composite Structures (2017) 33–44.
LibreCat
| DOI
C. Reuter, K.-H. Sauerland, T. Tröster, Composite Structures (2017) 33–44.
2019 | Conference Paper | LibreCat-ID: 16076
Evolutionary algorithm for the design of passive electric matching networks for ultrasonic transducers
T. Hetkämper, L. Claes, B. Henning, in: 2019 International Congress on Ultrasonics, 2019.
LibreCat
| DOI
T. Hetkämper, L. Claes, B. Henning, in: 2019 International Congress on Ultrasonics, 2019.
2020 | Preprint | LibreCat-ID: 16898
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
M. Lass, R. Schade, T. Kühne, C. Plessl, (2020).
LibreCat
| arXiv
M. Lass, R. Schade, T. Kühne, C. Plessl, (2020).
2017 | Journal Article | LibreCat-ID: 18
Efficient Branch and Bound on FPGAs Using Work Stealing and Instance-Specific Designs
H. Riebler, M. Lass, R. Mittendorf, T. Löcke, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems (TRETS) 10 (2017) 24:1-24:23.
LibreCat
| Files available
| DOI
H. Riebler, M. Lass, R. Mittendorf, T. Löcke, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems (TRETS) 10 (2017) 24:1-24:23.
2018 | Journal Article | LibreCat-ID: 20
Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots
M. Lass, T. Kühne, C. Plessl, Embedded Systems Letters 10 (2018) 33–36.
LibreCat
| DOI
| arXiv
M. Lass, T. Kühne, C. Plessl, Embedded Systems Letters 10 (2018) 33–36.
2018 | Conference Paper | LibreCat-ID: 2109
Ensembles of Evolved Nested Dichotomies for Classification
M.D. Wever, F. Mohr, E. Hüllermeier, in: Proceedings of the Genetic and Evolutionary Computation Conference, GECCO 2018, Kyoto, Japan, July 15-19, 2018, ACM, Kyoto, Japan, 2018.
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M.D. Wever, F. Mohr, E. Hüllermeier, in: Proceedings of the Genetic and Evolutionary Computation Conference, GECCO 2018, Kyoto, Japan, July 15-19, 2018, ACM, Kyoto, Japan, 2018.
2019 | Conference Paper | LibreCat-ID: 16831
A micromechanical based finite element simulation of process induced residual stresses in metal-CFRP-hybrid structures
S.R. Tinkloh, T. Wu, T. Tröster, T. Niendorf, in: 2019.
LibreCat
S.R. Tinkloh, T. Wu, T. Tröster, T. Niendorf, in: 2019.
2016 | Conference Paper | LibreCat-ID: 25
Using Approximate Computing in Scientific Codes
M. Lass, T. Kühne, C. Plessl, in: Workshop on Approximate Computing (AC), 2016.
LibreCat
M. Lass, T. Kühne, C. Plessl, in: Workshop on Approximate Computing (AC), 2016.
2016 | Journal Article | LibreCat-ID: 6555
Determination of the material properties of polymers using laser-generated broadband ultrasound
L. Claes, T. Meyer, F. Bause, J. Rautenberg, B. Henning, Journal of Sensors and Sensor Systems 5 (2016) 187–196.
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| DOI
| Download (ext.)
L. Claes, T. Meyer, F. Bause, J. Rautenberg, B. Henning, Journal of Sensors and Sensor Systems 5 (2016) 187–196.
2018 | Journal Article | LibreCat-ID: 6567
An acoustic waveguide-based approach to the complete characterisation of linear elastic, orthotropic material behaviour
S. Johannesmann, J. Düchting, M. Webersen, L. Claes, B. Henning, Tm - Technisches Messen 2018 (2018) 478–486.
LibreCat
| DOI
S. Johannesmann, J. Düchting, M. Webersen, L. Claes, B. Henning, Tm - Technisches Messen 2018 (2018) 478–486.
2017 | Journal Article | LibreCat-ID: 68
Proof-Carrying Hardware via Inductive Invariants
T. Isenberg, M. Platzner, H. Wehrheim, T. Wiersema, ACM Transactions on Design Automation of Electronic Systems (2017) 61:1--61:23.
LibreCat
| Files available
| DOI
T. Isenberg, M. Platzner, H. Wehrheim, T. Wiersema, ACM Transactions on Design Automation of Electronic Systems (2017) 61:1--61:23.
2019 | Journal Article | LibreCat-ID: 8753
Multiobjective Optimal Control Methods for the Navier-Stokes Equations Using Reduced Order Modeling
S. Peitz, S. Ober-Blöbaum, M. Dellnitz, Acta Applicandae Mathematicae 161 (2019) 171–199.
LibreCat
| DOI
S. Peitz, S. Ober-Blöbaum, M. Dellnitz, Acta Applicandae Mathematicae 161 (2019) 171–199.
2019 | Conference Paper | LibreCat-ID: 9718
Characterization of the linear-acoustic material behavior of fiber-reinforced composites using lamb waves
S. Johannesmann, M. Webersen, J. Düchting, L. Claes, B. Henning, in: 45th Annual Review of Progress in Quantitative Nondestructive Evaluation , 2019.
LibreCat
| DOI
S. Johannesmann, M. Webersen, J. Düchting, L. Claes, B. Henning, in: 45th Annual Review of Progress in Quantitative Nondestructive Evaluation , 2019.
2020 | Journal Article | LibreCat-ID: 16956
Bulk viscosity of liquid noble gases
R.S. Chatwell, J. Vrabec, The Journal of Chemical Physics (2020).
LibreCat
| DOI
R.S. Chatwell, J. Vrabec, The Journal of Chemical Physics (2020).
2019 | Conference Paper | LibreCat-ID: 15011
Algorithm Selection as Recommendation: From Collaborative Filtering to Dyad Ranking
A. Tornede, M.D. Wever, E. Hüllermeier, in: F. Hoffmann, E. Hüllermeier, R. Mikut (Eds.), Proceedings - 29. Workshop Computational Intelligence, Dortmund, 28. - 29. November 2019, KIT Scientific Publishing, Karlsruhe, 2019, pp. 135–146.
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| Files available
A. Tornede, M.D. Wever, E. Hüllermeier, in: F. Hoffmann, E. Hüllermeier, R. Mikut (Eds.), Proceedings - 29. Workshop Computational Intelligence, Dortmund, 28. - 29. November 2019, KIT Scientific Publishing, Karlsruhe, 2019, pp. 135–146.
2020 | Journal Article | LibreCat-ID: 17067
Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures
E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020).
LibreCat
| DOI
E. Speiser, N. Esser, B. Halbig, J. Geurts, W.G. Schmidt, S. Sanna, Surface Science Reports 75 (2020).
2018 | Journal Article | LibreCat-ID: 17079
Die effektive Konjugationslänge ist für die spektrale Verschiebung im rot/grün schaltenden Cyanobakteriochrom Slr1393g3 verantwortlich
C. Wiebeler, A.G. Rao, W. Gärtner, I. Schapiro, Angewandte Chemie (2018) 1952–1957.
LibreCat
| DOI
C. Wiebeler, A.G. Rao, W. Gärtner, I. Schapiro, Angewandte Chemie (2018) 1952–1957.
2020 | Journal Article | LibreCat-ID: 17322
Electrically controlled rapid adiabatic passage in a single quantum dot
A. Mukherjee, A. Widhalm, D. Siebert, S. Krehs, N. Sharma, A. Thiede, D. Reuter, J. Förstner, A. Zrenner, Applied Physics Letters (2020).
LibreCat
| Files available
| DOI
A. Mukherjee, A. Widhalm, D. Siebert, S. Krehs, N. Sharma, A. Thiede, D. Reuter, J. Förstner, A. Zrenner, Applied Physics Letters (2020).
2020 | Journal Article | LibreCat-ID: 17803
Light backscattering from large clusters of densely packed irregular particles
Y. Grynko, Y. Shkuratov, J. Förstner, Journal of Quantitative Spectroscopy and Radiative Transfer 255 (2020).
LibreCat
| Files available
| DOI
Y. Grynko, Y. Shkuratov, J. Förstner, Journal of Quantitative Spectroscopy and Radiative Transfer 255 (2020).
2017 | Journal Article | LibreCat-ID: 10023
Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
LibreCat
| Files available
| DOI
| WoS
F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A. Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
2015 | Journal Article | LibreCat-ID: 10030
Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
LibreCat
| Files available
| DOI
| WoS
| PubMed | Europe PMC
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
2002 | Journal Article | LibreCat-ID: 13736
Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)
W.G. Schmidt, F. Bechstedt, W. Lu, J. Bernholc, Physical Review B 66 (2002) 0855334.
LibreCat
| DOI
W.G. Schmidt, F. Bechstedt, W. Lu, J. Bernholc, Physical Review B 66 (2002) 0855334.
2019 | Journal Article | LibreCat-ID: 15814
Speech Processing for Digital Home Assistance: Combining Signal Processing With Deep-Learning Techniques
R. Haeb-Umbach, S. Watanabe, T. Nakatani, M. Bacchiani, B. Hoffmeister, M.L. Seltzer, H. Zen, M. Souden, IEEE Signal Processing Magazine 36 (2019) 111–124.
LibreCat
| Files available
| DOI
R. Haeb-Umbach, S. Watanabe, T. Nakatani, M. Bacchiani, B. Hoffmeister, M.L. Seltzer, H. Zen, M. Souden, IEEE Signal Processing Magazine 36 (2019) 111–124.
2019 | Journal Article | LibreCat-ID: 19450
Lektionen für Alexa & Co?!
R. Haeb-Umbach, DFG Forschung 1/2019 (2019) 12–15.
LibreCat
| Files available
| DOI
R. Haeb-Umbach, DFG Forschung 1/2019 (2019) 12–15.
2019 | Journal Article | LibreCat-ID: 19513
Controllable high-speed polariton waves in a PT-symmetric lattice
X. Ma, Y.Y. Kartashov, T. Gao, S. Schumacher, New Journal of Physics (2019).
LibreCat
| DOI
X. Ma, Y.Y. Kartashov, T. Gao, S. Schumacher, New Journal of Physics (2019).
2020 | Journal Article | LibreCat-ID: 19501
Non-adiabatic transitions in the reaction of fluorine with methane
B. Zhao, U. Manthe, The Journal of Chemical Physics (2020).
LibreCat
| DOI
B. Zhao, U. Manthe, The Journal of Chemical Physics (2020).
2020 | Journal Article | LibreCat-ID: 19823
Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films
A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. D. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).
LibreCat
| DOI
A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. D. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).
2019 | Journal Article | LibreCat-ID: 13212
Alkali Atoms Diffusion Mechanism in CuInSe2 Explained by Kinetic Monte Carlo Simulations
R. Kormath Madam Raghupathy, T.D. Kühne, G. Henkelman, H. Mirhosseini, Advanced Theory and Simulations (2019) 1900036.
LibreCat
| DOI
R. Kormath Madam Raghupathy, T.D. Kühne, G. Henkelman, H. Mirhosseini, Advanced Theory and Simulations (2019) 1900036.
2020 | Journal Article | LibreCat-ID: 19190
Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
F. Schmidt, A. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).
LibreCat
| Files available
| DOI
F. Schmidt, A. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W.G. Schmidt, U. Gerstmann, Physical Review Research 2 (2020).
2018 | Preprint | LibreCat-ID: 17714
Automated machine learning service composition
F. Mohr, M.D. Wever, E. Hüllermeier, (2018).
LibreCat
| Download (ext.)
F. Mohr, M.D. Wever, E. Hüllermeier, (2018).
2018 | Journal Article | LibreCat-ID: 10012
Electric Field Induced Raman Scattering at the Sb-InP(110) Interface: The Surface Dipole Contribution
N. Esser, W.G. Schmidt, Physica Status Solidi (B) (2018).
LibreCat
| DOI
N. Esser, W.G. Schmidt, Physica Status Solidi (B) (2018).
2018 | Journal Article | LibreCat-ID: 10017
Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism
M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala, C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials (2018).
LibreCat
| DOI
M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala, C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials (2018).
2015 | Journal Article | LibreCat-ID: 10029
Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces
C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015) 9342–9346.
LibreCat
| DOI
C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015) 9342–9346.
2015 | Journal Article | LibreCat-ID: 10031
Defect complexes in congruentLiNbO3and their optical signatures
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).
LibreCat
| DOI
Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).
2014 | Journal Article | LibreCat-ID: 10036
Modeling LiNbO3 Surfaces at Ambient Conditions
R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220.
LibreCat
| DOI
R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220.
2019 | Journal Article | LibreCat-ID: 13143
Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide
L. Claes, L.M. Hülskämper, E. Baumhögger, N. Feldmann, R.S. Chatwell, J. Vrabec, B. Henning, Tm - Technisches Messen (2019) 2–6.
LibreCat
| DOI
L. Claes, L.M. Hülskämper, E. Baumhögger, N. Feldmann, R.S. Chatwell, J. Vrabec, B. Henning, Tm - Technisches Messen (2019) 2–6.
2018 | Journal Article | LibreCat-ID: 13155
Solving Real-World Sized Container Pre-Marshalling Problems with an Iterative Deepening Branch-and-Bound Algorithm
S. Tanaka, K. Tierney, European Journal of Operational Research 264 (2018) 165–180.
LibreCat
| DOI
S. Tanaka, K. Tierney, European Journal of Operational Research 264 (2018) 165–180.
2018 | Journal Article | LibreCat-ID: 13186
Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility
T. Rösener, A. Hoffmann, S. Herres-Pawlis, European Journal of Inorganic Chemistry 2018 (2018) 3164–3175.
LibreCat
| DOI
T. Rösener, A. Hoffmann, S. Herres-Pawlis, European Journal of Inorganic Chemistry 2018 (2018) 3164–3175.
2019 | Journal Article | LibreCat-ID: 13225
Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O
T. Clark, J. Heske, T.D. Kühne, ChemPhysChem 20 (2019) 1–6.
LibreCat
| DOI
T. Clark, J. Heske, T.D. Kühne, ChemPhysChem 20 (2019) 1–6.