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

307 Publications

2016 | Journal Article | LibreCat-ID: 3834
Light scattering by ice crystals of cirrus clouds: From exact numerical methods to physical-optics approximation
A. Konoshonkin, A. Borovoi, N. Kustova, H. Okamoto, H. Ishimoto, Y. Grynko, J. Förstner, Journal of Quantitative Spectroscopy and Radiative Transfer 195 (2016) 132–140.
LibreCat | Files available | DOI
 
2017 | Conference Paper | LibreCat-ID: 1592
Flexible FPGA design for FDTD using OpenCL
T. Kenter, J. Förstner, C. Plessl, in: Proc. Int. Conf. on Field Programmable Logic and Applications (FPL), IEEE, 2017.
LibreCat | Files available | DOI
 
2015 | Journal Article | LibreCat-ID: 10027
GaNm-plane: Atomic structure, surface bands, and optical response
M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B (2015).
LibreCat | DOI
 
2017 | Conference Paper | LibreCat-ID: 11809
BEAMNET: End-to-End Training of a Beamformer-Supported Multi-Channel ASR System
J. Heymann, L. Drude, C. Boeddeker, P. Hanebrink, R. Haeb-Umbach, in: Proc. IEEE Intl. Conf. on Acoustics, Speech and Signal Processing (ICASSP), 2017.
LibreCat | Files available | Download (ext.)
 
2018 | Conference Paper | LibreCat-ID: 11873
NARA-WPE: A Python package for weighted prediction error dereverberation in Numpy and Tensorflow for online and offline processing
L. Drude, J. Heymann, C. Boeddeker, R. Haeb-Umbach, in: ITG 2018, Oldenburg, Germany, 2018.
LibreCat | Files available | Download (ext.)
 
2019 | Conference Paper | LibreCat-ID: 10577
Jump Search: A Fast Technique for the Synthesis of Approximate Circuits
L.M. Witschen, H. Ghasemzadeh Mohammadi, M. Artmann, M. Platzner, in: Proceedings of the 2019 on Great Lakes Symposium on VLSI  - GLSVLSI ’19, ACM, New York, NY, USA, 2019.
LibreCat | DOI
 
2018 | Preprint | LibreCat-ID: 3586
CIRCA: Towards a Modular and Extensible Framework for Approximate Circuit Generation
L.M. Witschen, T. Wiersema, H. Ghasemzadeh Mohammadi, M. Awais, M. Platzner, Third Workshop on Approximate Computing (AxC 2018) (n.d.).
LibreCat | Files available
 
2018 | Conference Paper | LibreCat-ID: 6578
Akustische Charakterisierung der richtungsabhängigen elastischen Eigenschaften faserverstärkter Kunststoffe
M. Webersen, S. Johannesmann, J. Düchting, L. Claes, B. Henning, in: Fortschritte Der Akustik - DAGA 2018, 2018, pp. 1263–1266.
LibreCat
 
2015 | Conference Paper | LibreCat-ID: 13153
Adaptive Playouts in Monte-Carlo Tree Search with Policy-Gradient Reinforcement Learning
T. Graf, M. Platzner, in: Advances in Computer Games: 14th International Conference, ACG 2015, Leiden, The Netherlands, July 1-3, 2015, Revised Selected Papers, Springer International Publishing, 2015, pp. 1–11.
LibreCat | DOI
 
2019 | Journal Article | LibreCat-ID: 13184
Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces
S.K. Peter, C. Kaulen, A. Hoffmann, W. Ogieglo, S. Karthäuser, M. Homberger, S. Herres-Pawlis, U. Simon, The Journal of Physical Chemistry C 123 (2019) 6537–6548.
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2017 | Journal Article | LibreCat-ID: 13278
Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria
R. Fingerhut, W.-L. Chen, A. Schedemann, W. Cordes, J. Rarey, C.-M. Hsieh, J. Vrabec, S.-T. Lin, Industrial & Engineering Chemistry Research 56 (2017) 9868–9884.
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2017 | Journal Article | LibreCat-ID: 13280
Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms
Y.M. Muñoz-Muñoz, C.-M. Hsieh, J. Vrabec, The Journal of Physical Chemistry B 121 (2017) 5374–5384.
LibreCat | DOI
 
2019 | Conference Paper | LibreCat-ID: 13285
Intensity-dependent degenerate and non-degenerate nonlinear optical absorption of direct-gap semiconductors
W.-R. Hannes, L. Krauß-Kodytek, C. Ruppert, M. Betz, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XXIII, 2019.
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2017 | Journal Article | LibreCat-ID: 13348
Theory of optically controlled anisotropic polariton transport in semiconductor double microcavities
S.M.H. Luk, P. Lewandowski, N.H. Kwong, E. Baudin, O. Lafont, J. Tignon, P.T. Leung, C.K.P. Chan, M. Babilon, S. Schumacher, R. Binder, Journal of the Optical Society of America B 35 (2017).
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2019 | Journal Article | LibreCat-ID: 13343
Curved Polar Dibenzocoronene Esters and Imides versus Their Planar Centrosymmetric Homologs: Photophysical and Optoelectronic Analysis
J. Vollbrecht, C. Wiebeler, H. Bock, S. Schumacher, H.-S. Kitzerow, The Journal of Physical Chemistry C 123 (2019) 4483–4492.
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2018 | Journal Article | LibreCat-ID: 13350
Vortex Multistability and Bessel Vortices in Polariton Condensates
X. Ma, S. Schumacher, Physical Review Letters 121 (2018).
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2019 | Conference Abstract | LibreCat-ID: 13393
Ein Finite-Volumen Ansatz für den Stoffübergang an bewegten Phasengrenzflächen
A. Schulz, C. Wecker, E. Kenig, in: Jahrestreffen der ProcessNet-Fachgruppe Computational Fluid Dynamics, Frankfurt, 2019.
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2019 | Conference Abstract | LibreCat-ID: 13398
Stofftransport bei der Tropfenbildung
J. Heine, C. Wecker, E. Kenig, H.-J. Bart, in: Jahrestreffen der ProcessNet-Fachgruppe Extraktion, Muttenz, Schweiz, 2019.
LibreCat
 
2019 | Journal Article | LibreCat-ID: 13401
Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy
C.W. Nicholson, M. Puppin, A. Lücke, U. Gerstmann, M. Krenz, W.G. Schmidt, L. Rettig, R. Ernstorfer, M. Wolf, Physical Review B 99 (2019).
LibreCat | DOI
 
2019 | Journal Article | LibreCat-ID: 12890
Integration of Neural Networks and Probabilistic Spatial Models for Acoustic Blind Source Separation
L. Drude, R. Haeb-Umbach, IEEE Journal of Selected Topics in Signal Processing (2019).
LibreCat | Files available | DOI
 
2019 | Journal Article | LibreCat-ID: 13230
Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries
M. Chugh, Thomas D.  Kühne, H. Mirhosseini, , ACS Applied Materials & Interfaces 11 (2019) 1944–8244.
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2019 | Journal Article | LibreCat-ID: 13211
Properties of Co-Evaporated RbInSe2 Thin Films
T. Kodalle, R. Kormath Madam Raghupathy, T. Bertram, N. Maticiuc, H.A. Yetkin, R. Gunder, R. Schlatmann, T.D. Kühne, C.A. Kaufmann, H. Mirhosseini, Physica Status Solidi (RRL)--Rapid Research Letters 13 (2019) 1800564.
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2018 | Journal Article | LibreCat-ID: 13209
Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water
S. Sahoo, R. Kormath Madam Raghupathy, T.D. Kühne, H. Mirhosseini, J. Phys. Chem. C 122 (2018) 21202–21209.
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2019 | Journal Article | LibreCat-ID: 13451
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 3 (2019) 2819–2827.
LibreCat | DOI
 
2017 | Journal Article | LibreCat-ID: 13242
H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces
R. Ellerbrock, U. Manthe, Chemical Physics 482 (2017) 106–112.
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2019 | Journal Article | LibreCat-ID: 13247
A Branch and Bound Approach for Large Pre-Marshalling Problems
S. Tanaka, K. Tierney, C. Parreño-Torres, R. Alvarez-Valdes, R. Ruiz, European Journal of Operational Research (2019) 211–225.
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2019 | Journal Article | LibreCat-ID: 13273
Diffusion Limited Evaporation of a Binary Liquid Film
R.S. Chatwell, M. Heinen, J. Vrabec, International Journal of Heat and Mass Transfer 132 (2019) 1296–1305.
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2016 | Journal Article | LibreCat-ID: 13475
Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)
F. Timmer, R. Oelke, C. Dues, S. Sanna, W.G. Schmidt, M. Franz, S. Appelfeller, M. Dähne, J. Wollschläger, Physical Review B 94 (2016).
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2016 | Journal Article | LibreCat-ID: 13487
Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2
M. Witte, U. Gerstmann, A. Neuba, G. Henkel, W.G. Schmidt, Journal of Computational Chemistry 37 (2016) 1005–1018.
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2015 | Journal Article | LibreCat-ID: 13494
Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces
H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science (2015) 278–281.
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2015 | Journal Article | LibreCat-ID: 13507
GaNm-plane: Atomic structure, surface bands, and optical response
M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser, Physical Review B 91 (2015).
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2013 | Journal Article | LibreCat-ID: 13521
Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces
S. Sanna, S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 88 (2013).
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2012 | Journal Article | LibreCat-ID: 13538
Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces
A. Riefer, S. Sanna, W.G. Schmidt, Physical Review B 86 (2012).
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2013 | Journal Article | LibreCat-ID: 13519
LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations
A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.
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2012 | Journal Article | LibreCat-ID: 13545
The electronic structure and optical response of rutile, anatase and brookite TiO2
M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter 24 (2012).
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2011 | Journal Article | LibreCat-ID: 13571
Methane adsorption on graphene from first principles including dispersion interaction
C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W.G. Schmidt, Surface Science 605 (2011) 746–749.
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2011 | Journal Article | LibreCat-ID: 13564
Group-VII point defects in ZnSe
L.S. dos Santos, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).
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2009 | Journal Article | LibreCat-ID: 13583
Vacancy clusters created via room temperature irradiation in 6H-SiC
A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Physica B: Condensed Matter 404 (2009) 4742–4744.
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2009 | Journal Article | LibreCat-ID: 13660
Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response
S. Chandola, K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, W.G. Schmidt, F. Bechstedt, K. Fleischer, J.F. McGilp, Physical Review Letters 102 (2009).
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2008 | Journal Article | LibreCat-ID: 13672
Theoretical study of the localization of excess electrons at the surface of ice
A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Journal of Physics: Condensed Matter 20 (2008).
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2009 | Journal Article | LibreCat-ID: 13665
First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen
M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 79 (2009).
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2007 | Journal Article | LibreCat-ID: 13677
Ethanol adsorbed on ice: A first-principles study
C. Thierfelder, W.G. Schmidt, Physical Review B 76 (2007).
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2006 | Journal Article | LibreCat-ID: 13684
Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13691 LibreCat | DOI
 
2018 | Journal Article | LibreCat-ID: 13406
Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation
Z. Mamiyev, T. Lichtenstein, C. Tegenkamp, C. Braun, W.G. Schmidt, S. Sanna, H. Pfnür, Physical Review Materials 2 (2018).
LibreCat | DOI
 
2017 | Journal Article | LibreCat-ID: 10022
Zn–VI quasiparticle gaps and optical spectra from many-body calculations
A. Riefer, N. Weber, J. Mund, D.R. Yakovlev, M. Bayer, A. Schindlmayr, C. Meier, W.G. Schmidt, Journal of Physics: Condensed Matter (2017).
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2018 | Journal Article | LibreCat-ID: 13413
Temperature stabilizes rough Au/Ge(001) surface reconstructions
K. Seino, S. Sanna, W.G. Schmidt, Surface Science 667 (2018) 101–104.
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2019 | Journal Article | LibreCat-ID: 10015
Water Splitting Reaction at Polar Lithium Niobate Surfaces
C. Dues, W.G. Schmidt, S. Sanna, ACS Omega (2019) 3850–3859.
LibreCat | DOI
 
2017 | Journal Article | LibreCat-ID: 13420
Current density analysis of electron transport through molecular wires in open quantum systems
D. Nozaki, W.G. Schmidt, Journal of Computational Chemistry 38 (2017) 1685–1692.
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2017 | Journal Article | LibreCat-ID: 13425
Electron paramagnetic resonance calculations for hydrogenated Si surfaces
M. Rohrmüller, W.G. Schmidt, U. Gerstmann, Physical Review B 95 (2017).
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2017 | Journal Article | LibreCat-ID: 13418
LiNbO3 surfaces from a microscopic perspective
S. Sanna, W.G. Schmidt, Journal of Physics: Condensed Matter (2017).
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2015 | Journal Article | LibreCat-ID: 13817
Phonon dispersion and zero-point renormalization of LiNbO3from density-functional perturbation theory
M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal of Physics: Condensed Matter 27 (2015).
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2015 | Journal Article | LibreCat-ID: 13502
Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films
C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali, H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical Review B 91 (2015).
LibreCat | DOI
 
2010 | Journal Article | LibreCat-ID: 13843
Dissociative and molecular adsorption of water onα-Al2O3(0001)
S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi (C) 7 (2010) 137–140.
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2010 | Journal Article | LibreCat-ID: 13829
First-principles investigation of CO adsorption on Pt/Ge(001)-(4×2)
A.V. Krivosheeva, S. Sanna, W.G. Schmidt, Computational Materials Science 49 (2010) 895–898.
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2010 | Journal Article | LibreCat-ID: 13836
Chemical reactivity on surfaces: Modeling the imide synthesis from DATP and PTCDA on Au(111)
E. Rauls, S. Blankenburg, W.G. Schmidt, Physical Review B 81 (2010).
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2016 | Conference Paper | LibreCat-ID: 13918
Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch equations
R. Podzimski, H.T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, T. Meier, in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XX, 2016.
LibreCat | DOI
 
2016 | Journal Article | LibreCat-ID: 13920
Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe
J. Lohrenz, S. Melzer, C. Ruppert, I.A. Akimov, H. Mariette, M. Reichelt, A. Trautmann, T. Meier, M. Betz, Physical Review B 93 (2016).
LibreCat | DOI
 
2019 | Conference Paper | LibreCat-ID: 14822
A Study on Online Source Extraction in the Presence of Changing Speaker Positions
J. Heitkaemper, T. Feher, M. Freitag, R. Haeb-Umbach, in: International Conference on Statistical Language and Speech Processing 2019, Ljubljana, Slovenia, 2019.
LibreCat | Files available
 
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
 
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
 
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
 
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
 
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
 
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.
LibreCat | DOI | Download (ext.)
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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).
LibreCat | DOI
 
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
 
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
 
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
 
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
 
2017 | Journal Article | LibreCat-ID: 13356
Vortex-vortex control in exciton-polariton condensates
X. Ma, S. Schumacher, Physical Review B 95 (2017).
LibreCat | DOI
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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
 
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