Bauer, C., Kenter, T., Lass, M., Mazur, L., Meyer, M., Nitsche, H., Riebler, H., Schade, R., Schwarz, M., Winnwa, N., Wiens, A., Wu, X., Plessl, C., &; Simon, J. (2024). Noctua 2 Supercomputer. Journal of Large-Scale Research Facilities, 9.https://doi.org/10.17815/jlsrf-8-187  
LibreCat: /record/53663
DOI: 10.17815/jlsrf-8-187 

Hirschhausen, T., Fritsch, L., Lux, F., Steube, J., Schoch, R., Neuba, A., Egold, H., &; Bauer, M. (2023). Iron(III)-Complexes with N-Phenylpyrazole-Based Ligands. Inorganics, 11(7), Article 282.https://doi.org/10.3390/inorganics11070282 
LibreCat: /record/46548
DOI: 10.3390/inorganics11070282

Rogolino, A., Filho, J. B. G., Fritsch, L., Ardisson, J. D., da Silva, M. A. R., Atta Diab, G. A., Silva, I. F., Moraes, C. A. F., Forim, M. R., Bauer, M., Kühne, T. D., Antonietti, M., &; Teixeira, I. F. (2023). Direct Synthesis of Acetone by Aerobic Propane Oxidation Promoted by Photoactive Iron(III) Chloride under Mild Conditions. ACS Catalysis, 13(13), 8662–8669.https://doi.org/10.1021/acscatal.3c02092 
LibreCat: /record/46547
DOI: 10.1021/acscatal.3c02092

Fritsch, L., Vukadinovic, Y., Lang, M., Naumann, R., Bertrams, M.-S., Kruse, A., Schoch, R., Müller, P., Neuba, A., Dierks, P., Lochbrunner, S., Kerzig, C., Heinze, K., &; Bauer, M. (2023). Chemical and photophysical properties of amine functionalized bisNHCpyridineRuII complexes. ChemPhotoChem.https://doi.org/10.1002/cptc.202300281 
LibreCat: /record/49608
DOI: 10.1002/cptc.202300281

Granhão, D., &; Canas Ferreira, J. C. (2021). Transparent Control Flow Transfer between CPU and Accelerators for HPC. Electronics.https://doi.org/10.3390/electronics10040406 
LibreCat: /record/21208
DOI: 10.3390/electronics10040406

Castells-Rufas, D., Marco-Sola, S., Aguado-Puig, Q., Espinosa-Morales, A., Moure, J. C., Alvarez, L., &; Moreto, M. (2021). OpenCL-based FPGA Accelerator for Semi-Global Approximate String Matching Using Diagonal Bit-Vectors. 2021 31st International Conference on Field-Programmable Logic and Applications (FPL).https://doi.org/10.1109/fpl53798.2021.00036 
LibreCat: /record/35131
DOI: 10.1109/fpl53798.2021.00036

Zhao, B., &; Manthe, U. (2020). Non-adiabatic transitions in the reaction of fluorine with methane. The Journal of Chemical Physics.https://doi.org/10.1063/5.0013852 
LibreCat: /record/19501
DOI: 10.1063/5.0013852

Eckhoff, M., Blöchl, P. E., &; Behler, J. (2020). Hybrid density functional theory benchmark study on lithium manganese oxides. Physical Review B.https://doi.org/10.1103/physrevb.101.205113 
LibreCat: /record/19503
DOI: 10.1103/physrevb.101.205113

Barkhausen, F., Schumacher, S., &; Ma, X. (2020). Multistable circular currents of polariton condensates trapped in ring potentials. Optics Letters.https://doi.org/10.1364/ol.386250 
LibreCat: /record/19507
DOI: 10.1364/ol.386250

Pukrop, M., &; Schumacher, S. (2020). Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid. Physical Review E.https://doi.org/10.1103/physreve.101.012207 
LibreCat: /record/19511
DOI: 10.1103/physreve.101.012207

Parreño-Torres, C., Alvarez-Valdes, R., Ruiz, R., &; Tierney, K. (2020). Minimizing crane times in pre-marshalling problems. Transportation Research Part E: Logistics and Transportation Review.https://doi.org/10.1016/j.tre.2020.101917 
LibreCat: /record/19560
DOI: 10.1016/j.tre.2020.101917

Sellmann, M., &; Tierney, K. (2020). Hyper-parameterized Dialectic Search for Non-linear Box-Constrained Optimization with Heterogenous Variable Types. In Lecture Notes in Computer Science. Cham.https://doi.org/10.1007/978-3-030-53552-0_12 
LibreCat: /record/19561
DOI: 10.1007/978-3-030-53552-0_12

Kuhlemann, S., &; Tierney, K. (2020). A genetic algorithm for finding realistic sea routes considering the weather. Journal of Heuristics.https://doi.org/10.1007/s10732-020-09449-7 
LibreCat: /record/19562
DOI: 10.1007/s10732-020-09449-7

Alberto Oliveira de Souza Junior, C., Bispo, J., Cardoso, J. M. P., Diniz, P. C., &; Marques, E. (2020). Exploration of FPGA-Based Hardware Designs for QR Decomposition for Solving Stiff ODE Numerical Methods Using the HARP Hybrid Architecture. Electronics.https://doi.org/10.3390/electronics9050843 
LibreCat: /record/17359
DOI: 10.3390/electronics9050843

Streiter, M., Fischer, T. G., Wiebeler, C., Reichert, S., Langenickel, J., Zeitler, K., &; Deibel, C. (2020). Impact of Chlorine on the Internal Transition Rates and Excited States of the Thermally Delayed Activated Fluorescence Molecule 3CzClIPN. The Journal of Physical Chemistry C, 15007–15014.https://doi.org/10.1021/acs.jpcc.0c03341 
LibreCat: /record/20496
DOI: 10.1021/acs.jpcc.0c03341

Joswig, J.-O., Anders, J., Zhang, H., Rademacher, C., &; Keller, B. G. (2020). Molecular Mechanism of the pH-Dependent Calcium Affinity in Langerin. BioRxiv.
LibreCat: /record/16953

Chatwell, R. S., &; Vrabec, J. (2020). Bulk viscosity of liquid noble gases. The Journal of Chemical Physics.https://doi.org/10.1063/1.5142364 
LibreCat: /record/16956
DOI: 10.1063/1.5142364

Fodor, M. A., Ható, Z., Kristóf, T., &; Pósfai, M. (2020). The role of clay surfaces in the heterogeneous nucleation of calcite: Molecular dynamics simulations of cluster formation and attachment. Chemical Geology.https://doi.org/10.1016/j.chemgeo.2020.119497 
LibreCat: /record/16957
DOI: 10.1016/j.chemgeo.2020.119497

Dong, C.-D., &; Schumacher, S. (2019). Molecular Doping of PCPDT–BT Copolymers: Comparison of Molecular Complexes with and without Integer Charge Transfer. The Journal of Physical Chemistry C, 30863–30870.https://doi.org/10.1021/acs.jpcc.9b09970 
LibreCat: /record/19504
DOI: 10.1021/acs.jpcc.9b09970

Ma, X., Kartashov, Y. Y., Gao, T., &; Schumacher, S. (2019). Controllable high-speed polariton waves in a PT-symmetric lattice. New Journal of Physics.https://doi.org/10.1088/1367-2630/ab5a9b 
LibreCat: /record/19513
DOI: 10.1088/1367-2630/ab5a9b