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39 Publications
2024 | Journal Article | LibreCat-ID: 53663 | 
Noctua 2 Supercomputer
C. Bauer, T. Kenter, M. Lass, L. Mazur, M. Meyer, H. Nitsche, H. Riebler, R. Schade, M. Schwarz, N. Winnwa, A. Wiens, X. Wu, C. Plessl, J. Simon, Journal of Large-Scale Research Facilities 9 (2024).
LibreCat
| Files available
| DOI
C. Bauer, T. Kenter, M. Lass, L. Mazur, M. Meyer, H. Nitsche, H. Riebler, R. Schade, M. Schwarz, N. Winnwa, A. Wiens, X. Wu, C. Plessl, J. Simon, Journal of Large-Scale Research Facilities 9 (2024).
2023 | Journal Article | LibreCat-ID: 46548
Iron(III)-Complexes with N-Phenylpyrazole-Based Ligands
T. Hirschhausen, L. Fritsch, F. Lux, J. Steube, R. Schoch, A. Neuba, H. Egold, M. Bauer, Inorganics 11 (2023).
LibreCat
| DOI
T. Hirschhausen, L. Fritsch, F. Lux, J. Steube, R. Schoch, A. Neuba, H. Egold, M. Bauer, Inorganics 11 (2023).
2023 | Journal Article | LibreCat-ID: 46547
Direct Synthesis of Acetone by Aerobic Propane Oxidation Promoted by Photoactive Iron(III) Chloride under Mild Conditions
A. Rogolino, J.B.G. Filho, L. Fritsch, J.D. Ardisson, M.A.R. da Silva, G.A. Atta Diab, I.F. Silva, C.A.F. Moraes, M.R. Forim, M. Bauer, T.D. Kühne, M. Antonietti, I.F. Teixeira, ACS Catalysis 13 (2023) 8662–8669.
LibreCat
| DOI
A. Rogolino, J.B.G. Filho, L. Fritsch, J.D. Ardisson, M.A.R. da Silva, G.A. Atta Diab, I.F. Silva, C.A.F. Moraes, M.R. Forim, M. Bauer, T.D. Kühne, M. Antonietti, I.F. Teixeira, ACS Catalysis 13 (2023) 8662–8669.
2023 | Journal Article | LibreCat-ID: 49608
Chemical and photophysical properties of amine functionalized bis‐NHC‐pyridine‐RuII complexes
L. Fritsch, Y. Vukadinovic, M. Lang, R. Naumann, M.-S. Bertrams, A. Kruse, R. Schoch, P. Müller, A. Neuba, P. Dierks, S. Lochbrunner, C. Kerzig, K. Heinze, M. Bauer, ChemPhotoChem (2023).
LibreCat
| DOI
L. Fritsch, Y. Vukadinovic, M. Lang, R. Naumann, M.-S. Bertrams, A. Kruse, R. Schoch, P. Müller, A. Neuba, P. Dierks, S. Lochbrunner, C. Kerzig, K. Heinze, M. Bauer, ChemPhotoChem (2023).
2021 | Journal Article | LibreCat-ID: 21208
Transparent Control Flow Transfer between CPU and Accelerators for HPC
D. Granhão, J.C. Canas Ferreira, Electronics (2021).
LibreCat
| DOI
D. Granhão, J.C. Canas Ferreira, Electronics (2021).
2021 | Conference Paper | LibreCat-ID: 35131
OpenCL-based FPGA Accelerator for Semi-Global Approximate String Matching Using Diagonal Bit-Vectors
D. Castells-Rufas, S. Marco-Sola, Q. Aguado-Puig, A. Espinosa-Morales, J.C. Moure, L. Alvarez, M. Moreto, in: 2021 31st International Conference on Field-Programmable Logic and Applications (FPL), IEEE, 2021.
LibreCat
| DOI
D. Castells-Rufas, S. Marco-Sola, Q. Aguado-Puig, A. Espinosa-Morales, J.C. Moure, L. Alvarez, M. Moreto, in: 2021 31st International Conference on Field-Programmable Logic and Applications (FPL), IEEE, 2021.
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: 19503
Hybrid density functional theory benchmark study on lithium manganese oxides
M. Eckhoff, P.E. Blöchl, J. Behler, Physical Review B (2020).
LibreCat
| DOI
M. Eckhoff, P.E. Blöchl, J. Behler, Physical Review B (2020).
2020 | Journal Article | LibreCat-ID: 19507
Multistable circular currents of polariton condensates trapped in ring potentials
F. Barkhausen, S. Schumacher, X. Ma, Optics Letters (2020).
LibreCat
| DOI
F. Barkhausen, S. Schumacher, X. Ma, Optics Letters (2020).
2020 | Journal Article | LibreCat-ID: 19511
Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid
M. Pukrop, S. Schumacher, Physical Review E (2020).
LibreCat
| DOI
M. Pukrop, S. Schumacher, Physical Review E (2020).
2020 | Journal Article | LibreCat-ID: 19560
Minimizing crane times in pre-marshalling problems
C. Parreño-Torres, R. Alvarez-Valdes, R. Ruiz, K. Tierney, Transportation Research Part E: Logistics and Transportation Review (2020).
LibreCat
| DOI
C. Parreño-Torres, R. Alvarez-Valdes, R. Ruiz, K. Tierney, Transportation Research Part E: Logistics and Transportation Review (2020).
2020 | Book Chapter | LibreCat-ID: 19561
Hyper-parameterized Dialectic Search for Non-linear Box-Constrained Optimization with Heterogenous Variable Types
M. Sellmann, K. Tierney, in: Lecture Notes in Computer Science, Cham, 2020.
LibreCat
| DOI
M. Sellmann, K. Tierney, in: Lecture Notes in Computer Science, Cham, 2020.
2020 | Journal Article | LibreCat-ID: 19562
A genetic algorithm for finding realistic sea routes considering the weather
S. Kuhlemann, K. Tierney, Journal of Heuristics (2020).
LibreCat
| DOI
S. Kuhlemann, K. Tierney, Journal of Heuristics (2020).
2020 | Journal Article | LibreCat-ID: 17359
Exploration of FPGA-Based Hardware Designs for QR Decomposition for Solving Stiff ODE Numerical Methods Using the HARP Hybrid Architecture
C. Alberto Oliveira de Souza Junior, J. Bispo, J.M.P. Cardoso, P.C. Diniz, E. Marques, Electronics (2020).
LibreCat
| DOI
C. Alberto Oliveira de Souza Junior, J. Bispo, J.M.P. Cardoso, P.C. Diniz, E. Marques, Electronics (2020).
2020 | Journal Article | LibreCat-ID: 20496
Impact of Chlorine on the Internal Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN
M. Streiter, T.G. Fischer, C. Wiebeler, S. Reichert, J. Langenickel, K. Zeitler, C. Deibel, The Journal of Physical Chemistry C (2020) 15007–15014.
LibreCat
| DOI
M. Streiter, T.G. Fischer, C. Wiebeler, S. Reichert, J. Langenickel, K. Zeitler, C. Deibel, The Journal of Physical Chemistry C (2020) 15007–15014.
2020 | Preprint | LibreCat-ID: 16953
Molecular Mechanism of the pH-Dependent Calcium Affinity in Langerin
J.-O. Joswig, J. Anders, H. Zhang, C. Rademacher, B.G. Keller, BioRxiv (2020).
LibreCat
J.-O. Joswig, J. Anders, H. Zhang, C. Rademacher, B.G. Keller, BioRxiv (2020).
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).
2020 | Journal Article | LibreCat-ID: 16957
The role of clay surfaces in the heterogeneous nucleation of calcite: Molecular dynamics simulations of cluster formation and attachment
M.A. Fodor, Z. Ható, T. Kristóf, M. Pósfai, Chemical Geology (2020).
LibreCat
| DOI
M.A. Fodor, Z. Ható, T. Kristóf, M. Pósfai, Chemical Geology (2020).
2019 | Journal Article | LibreCat-ID: 19504
Molecular Doping of PCPDT–BT Copolymers: Comparison of Molecular Complexes with and without Integer Charge Transfer
C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C (2019) 30863–30870.
LibreCat
| DOI
C.-D. Dong, S. Schumacher, The Journal of Physical Chemistry C (2019) 30863–30870.
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).