Acknowledgement
Bei jeder Publikation, für welche die HPC Einrichtungen der Universität Mainz genutzt wurden, möchten wir Sie bitten die folgende Passage in Ihren Text aufzunehmen:
Parts of this research were conducted using the supercomputer MOGON 2 and/or advisory services offered by Johannes Gutenberg University Mainz (hpc.uni-mainz.de), which is a member of the AHRP (Alliance for High Performance Computing in Rhineland Palatinate, www.ahrp.info) and the Gauss Alliance e.V.
The authors gratefully acknowledge the computing time granted on the supercomputer MOGON 2 at Johannes Gutenberg University Mainz (hpc.uni-mainz.de).
| Author | Title | Year | Journal/Proceedings | DOI/URL |
|---|---|---|---|---|
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| Schafer, T., Muhl, C., Barz, M., Schmid, F. and Settanni, G. | Interactions Between Blood Proteins and Nanoparticles Investigated Using Molecular Dynamics Simulations | 2019 | High Performance Computing in Science and Engineering'18, pp. 63-74 | |
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| Collaboration, A. | Measurement of the ZZ production cross section in proton-proton collisions at 𝑠√=8 TeV using the ZZ → ℓ−ℓ+ℓ′−ℓ′+ and 𝑍𝑍→ℓ−ℓ+𝜈𝜈⎯⎯⎯ decay channels with the ATLAS detector | 2017 | Journal of High Energy Physics Vol. 2017(1), pp. 99 | DOI URL |
| El Hedri, S., Kaminska, A. and de Vries, M. | A Sommerfeld Toolbox for Colored Dark Sectors | 2017 | Eur. Phys. J. C Vol. 77(9), pp. 622 | DOI |
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| Gerster, M., Rizzi, M., Silvi, P., Dalmonte, M. and Montangero, S. | Fractional quantum Hall effect in the interacting Hofstadter model via tensor networks | 2017 | Physical Review B Vol. 96(19), pp. 195123 | DOI URL |
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| Jünemann, J., Piga, A., Ran, S.-J., Lewenstein, M., Rizzi, M. and Bermudez, A. | Exploring Interacting Topological Insulators with Ultracold Atoms: The Synthetic Creutz-Hubbard Model | 2017 | Physical Review X Vol. 7(3), pp. 031057 | DOI URL |
| Jung, G., Hanke, M. and Schmid, F. | Iterative Reconstruction of Memory Kernels | 2017 | Journal of Chemical Theory and Computation Vol. 13(6), pp. 2481-2488 | DOI URL |
| Lauck, M., Förster, C. and Heinze, K. | N-Cobaltocenium Amide as Reactive Nucleophilic Reagent for Donor–Acceptor Bimetallocenes | 2017 | Organometallics Vol. 36(24), pp. 4968-4978 | DOI URL |
| Lukáčová-Medvid’ová, M., Rosemeier, J., Spichtinger, P. and Wiebe, B. | IMEX Finite Volume Methods for Cloud Simulation | 2017 | Finite Volumes for Complex Applications VIII - Hyperbolic, Elliptic and Parabolic Problems, pp. 179-187 | DOI |
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| Otto, S., Nauth, A.M., Ermilov, E., Scholz, N., Friedrich, A. et al. | Photo-Chromium: Sensitizer for Visible-Light-Induced Oxidative C−H Bond Functionalization—Electron or Energy Transfer? | 2017 | ChemPhotoChem Vol. 1(8), pp. 344-349 | DOI URL |
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| Probst, M., Rothlauf, F. and Grahl, J. | Scalability of using Restricted Boltzmann Machines for combinatorial optimization | 2017 | European Journal of Operational Research Vol. 256(2), pp. 368-383 | DOI URL |
| Qi, S. and Schmid, F. | Dynamic Density Functional Theories for Inhomogeneous Polymer Systems Compared to Brownian Dynamics Simulations | 2017 | Macromolecules Vol. 50(24), pp. 9831-9845 | DOI URL |
| Schäfer, K., Oestereich, M., Gauss, J. and Diezemann, G. | Force probe simulations using a hybrid scheme with virtual sites | 2017 | The Journal of Chemical Physics Vol. 147(13), pp. 134909 | DOI URL |
| Settanni, G., Zhou, J., Suo, T., Schöttler, S., Landfester, K., Schmid, F. and Mailänder, V. | Protein corona composition of poly (ethylene glycol)-and poly (phosphoester)-coated nanoparticles correlates strongly with the amino acid composition of the protein surface | 2017 | Nanoscale Vol. 9(6), pp. 2138-2144 | |
| Settanni, G., Zhou, J. and Schmid, F. | Interactions between proteins and poly (ethylene-glycol) investigated using molecular dynamics simulations | 2017 | Vol. 921(1)Journal of Physics: Conference Series, pp. 012002 | |
| Siebert, J.T., Letz, J., Speck, T. and Virnau, P. | Phase behavior of active Brownian disks, spheres, and dimers | 2017 | Soft Matter Vol. 13(5), pp. 1020-1026 | DOI URL |
| Tüting, L., Ye, W., Settanni, G., Schmid, F., Wolf, B.A., Ahijado-Guzmán, R. and Sönnichsen, C. | Potassium Triggers a Reversible Specific Stiffness Transition of Polyethylene Glycol | 2017 | The Journal of Physical Chemistry C Vol. 121(40), pp. 22396-22402 | |
| Zepeda-Mendoza, C.J., Ibn-Salem, J., Kammin, T., Harris, D.J., Rita, D., Gripp, K.W. et al. | Computational Prediction of Position Effects of Apparently Balanced Human Chromosomal Rearrangements | 2017 | The American Journal of Human Genetics Vol. 101(2), pp. 206-217 | DOI URL |
| Ablikim, M., Achasov, M.N., Ai, X.C., Albayrak, O., Albrecht, M., Ambrose et al. | Measurement of the e+e−→π+π− cross section between 600 and 900 MeV using initial state radiation | 2016 | Physics Letters B Vol. 753, pp. 629-638 | DOI URL |
| Alanis-Lobato, G., Mier, P. and Andrade-Navarro, M.A. | Efficient embedding of complex networks to hyperbolic space via their Laplacian | 2016 | Scientific Reports Vol. 6(1), pp. 1-10 | DOI URL |
| Andernach, L., Sandjo, L.P., Liermann, J.C., Schlämann, R., Richter, C. et al. | Terphenyl Derivatives from Allantophomopsis lycopodina | 2016 | Journal of Natural Products Vol. 79(10), pp. 2718-2725 | DOI URL |
| Andernach, L., Pusch, S., Weber, C., Schollmeyer, D., Münster-Müller, S. et al. | Absolute configuration of the synthetic cannabinoid MDMB-CHMICA with its chemical characteristics in illegal products | 2016 | Forensic Toxicology Vol. 34(2), pp. 344-352 | DOI URL |
| Back, O., Leppin, J., Förster, C. and Heinze, K. | Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex | 2016 | Inorganic Chemistry Vol. 55(19), pp. 9653-9662 | DOI URL |
| Berkemeier, T., Steimer, S.S., Krieger, U.K., Peter, T., Pöschl, U. et al. | Ozone uptake on glassy, semi-solid and liquid organic matter and the role of reactive oxygen intermediates in atmospheric aerosol chemistry | 2016 | Physical Chemistry Chemical Physics Vol. 18(18), pp. 12662-12674 | DOI URL |
| Collaboration, A. | Search for gluinos in events with an isolated lepton, jets and missing transverse momentum at √𝑠 = 13 Te V with the ATLAS detector | 2016 | The European Physical Journal C Vol. 76(10), pp. 565 | DOI URL |
| Collaboration, A. | Search for new resonances in events with one lepton and missing transverse momentum in pp collisions at √𝑠= 13 TeV with the ATLAS detector | 2016 | Physics Letters B Vol. 762, pp. 334-352 | DOI URL |
| Collaboration, A. | Measurement of the ZZ Production Cross Section in pp Collisions at √s=13 TeV with the ATLAS Detector | 2016 | Physical Review Letters Vol. 116(10), pp. 101801 | DOI URL |
| Collaboration, A. | Identification of high transverse momentum top quarks in pp collisions at √𝑠=8 TeV with the ATLAS detector | 2016 | Journal of High Energy Physics Vol. 2016(6), pp. 93 | DOI URL |
| Decamp, J., Jünemann, J., Albert, M., Rizzi, M., Minguzzi, A. and Vignolo, P. | High-momentum tails as magnetic-structure probes for strongly correlated $\text{SU}\(\ensuremath{\textbackslash}kappa\)$ fermionic mixtures in one-dimensional traps | 2016 | Physical Review A Vol. 94(5), pp. 053614 | DOI URL |
| Feldmeyer, B., Mazur, J., Beros, S., Lerp, H., Binder, H. and Foitzik, S. | Gene expression patterns underlying parasite-induced alterations in host behaviour and life history | 2016 | Molecular Ecology Vol. 25(2), pp. 648-660 | DOI URL |
| Herrmann, S., Ochoa, G. and Rothlauf, F. | Communities of Local Optima as Funnels in Fitness Landscapes | 2016 | Proceedings of the Genetic and Evolutionary Computation Conference 2016, pp. 325-331 | DOI URL |
| Herrmann, S., Ochoa, G. and Rothlauf, F. | Coarse-Grained Barrier Trees of Fitness Landscapes | 2016 | Parallel Problem Solving from Nature – PPSN XIV, pp. 901-910 | DOI |
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| Jung, G. and Schmid, F. | Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions | 2016 | The Journal of Chemical Physics Vol. 144(20), pp. 204104 | DOI URL |
| Khatib, R., Hasegawa, T., Sulpizi, M., Backus, E.H., Bonn, M. and Nagata, Y. | Molecular dynamics simulations of SFG librational modes spectra of water at the water--air interface | 2016 | The Journal of Physical Chemistry C Vol. 120(33), pp. 18665-18673 | |
| Kreitner, C. and Heinze, K. | The photochemistry of mono- and dinuclear cyclometalated bis(tridentate)ruthenium(II) complexes: dual excited state deactivation and dual emission | 2016 | Dalton Transactions Vol. 45(13), pp. 5640-5658 | DOI URL |
| Liu, Y., Loewer, M., Aluru, S. and Schmidt, B. | SNVSniffer: an integrated caller for germline and somatic single-nucleotide and indel mutations | 2016 | BMC Systems Biology Vol. 10(2), pp. 47 | DOI URL |
| Meena, S.K., Celiksoy, S., Schäfer, P., Henkel, A., Sönnichsen, C. and Sulpizi, M. | The role of halide ions in the anisotropic growth of gold nanoparticles: a microscopic, atomistic perspective | 2016 | Physical Chemistry Chemical Physics Vol. 18(19), pp. 13246-13254 | |
| Meena, S.K. and Sulpizi, M. | From gold nanoseeds to nanorods: The microscopic origin of the anisotropic growth | 2016 | Angewandte Chemie International Edition Vol. 55(39), pp. 11960-11964 | |
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| Parvaneh, L.S., Donadio, D. and Sulpizi, M. | Molecular mechanism of crystal growth inhibition at the calcium oxalate/water interfaces | 2016 | The Journal of Physical Chemistry C Vol. 120(8), pp. 4410-4417 | |
| Pušavec Kirar, E., Grošelj, U., Golobič, A., Požgan, F., Pusch, S., Weber, C. et al. | Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths | 2016 | The Journal of Organic Chemistry Vol. 81(23), pp. 11802-11812 | DOI URL |
| Pusch, S., Schollmeyer, D. and Opatz, T. | A Light-Induced Vinylogous Nazarov-Type Cyclization | 2016 | Organic Letters Vol. 18(13), pp. 3043-3045 | DOI URL |
| Qi, S., Klushin, L.I., Skvortsov, A.M. and Schmid, F. | Polydisperse Polymer Brushes: Internal Structure, Critical Behavior, and Interaction with Flow | 2016 | Macromolecules Vol. 49(24), pp. 9665-9683 | DOI URL |
| Rein, M., Heinß, N., Schmid, F. and Speck, T. | Collective Behavior of Quorum-Sensing Run-and-Tumble Particles under Confinement | 2016 | Physical Review Letters Vol. 116(5), pp. 058102 | DOI URL |
| Richard, D., Löwen, H. and Speck, T. | Nucleation pathway and kinetics of phase-separating active Brownian particles | 2016 | Soft Matter Vol. 12(24), pp. 5257-5264 | DOI URL |
| Singh, B., Erni, W., Krusche, B., Steinacher, M., Walford, N., Liu, B et al. | Feasibility studies of time-like proton electromagnetic form factors at overline {}\backslash{rm P}\ ANDA at FAIR | 2016 | The European Physical Journal A Vol. 52(10), pp. 325 | |
| Usui, K., Nagata, Y., Hunger, J., Bonn, M. and Sulpizi, M. | A new force field including charge directionality for TMAO in aqueous solution | 2016 | The Journal of Chemical Physics Vol. 145(6), pp. 064103 | |
| Weber, C., Pusch, S., Schollmeyer, D., Münster-Müller, S., Pütz, M. and Opatz, T. | Characterization of the synthetic cannabinoid MDMB-CHMCZCA | 2016 | Beilstein Journal of Organic Chemistry Vol. 12, pp. 2808-2815 | DOI |
| Zimmermann, I., Dbeyssi, A., Khaneft, D. and Collaboration, P. | Feasibility studies on time-like proton electromagnetic form factors at PANDA-FAIR | 2016 | Vol. 1735(1)AIP Conference Proceedings, pp. 080004 | |
| Aghamalyan, D., Cominotti, M., Rizzi, M., Rossini, D., Hekking, F., Minguzzi, A., Kwek, L.-C. and Amico, L. | Coherent superposition of current flows in an atomtronic quantum interference device | 2015 | New Journal of Physics Vol. 17(4), pp. 045023 | DOI URL |
| Baker, M.J. and others | The Coannihilation Codex | 2015 | JHEP Vol. 12, pp. 120 | DOI |
| Bialké, J., Siebert, J.T., Löwen, H. and Speck, T. | Negative Interfacial Tension in Phase-Separated Active Brownian Particles | 2015 | Physical Review Letters Vol. 115(9), pp. 098301 | DOI URL |
| Brühl, C., Lelieveld, J., Tost, H., Höpfner, M. and Glatthor, N. | Stratospheric sulfur and its implications for radiative forcing simulated by the chemistry climate model EMAC | 2015 | Journal of Geophysical Research: Atmospheres Vol. 120(5), pp. 2103-2118 | DOI URL |
| González-Domínguez, J., Wienbrandt, L., Kässens, J.C., Ellinghaus, D., Schimmler, M. and Schmidt, B. | Parallelizing Epistasis Detection in GWAS on FPGA and GPU-Accelerated Computing Systems | 2015 | IEEE/ACM Transactions on Computational Biology and Bioinformatics Vol. 12(5), pp. 982-994 | DOI |
| González-Domínguez, J., Kässens, J.C., Wienbrandt, L. and Schmidt, B. | Large-scale genome-wide association studies on a GPU cluster using a CUDA-accelerated PGAS programming model: | 2015 | The International Journal of High Performance Computing Applications | DOI URL |
| González-Domínguez, J. and Schmidt, B. | GPU-accelerated exhaustive search for third-order epistatic interactions in case–control studies | 2015 | Journal of Computational Science Vol. 8, pp. 93-100 | DOI URL |
| Kässens, J.C., Wienbrandt, L., González-Domínguez, J., Schmidt, B. and Schimmler, M. | High-speed exhaustive 3-locus interaction epistasis analysis on FPGAs | 2015 | Journal of Computational Science Vol. 9, pp. 131-136 | DOI URL |
| Köhler, S., Schmid, F. and Settanni, G. | The internal dynamics of fibrinogen and its implications for coagulation and adsorption | 2015 | PLoS computational biology Vol. 11(9) | |
| Köhler, S., Schmid, F. and Settanni, G. | The Internal Dynamics of Fibrinogen and Its Implications for Coagulation and Adsorption | 2015 | PLOS Computational Biology Vol. 11(9), pp. e1004346 | DOI URL |
| Köhler, S., Schmid, F. and Settanni, G. | Molecular dynamics simulations of the initial adsorption stages of fibrinogen on mica and graphite surfaces | 2015 | Langmuir Vol. 31(48), pp. 13180-13190 | |
| Kreiter, S., Vormehr, M., van de Roemer, N., Diken, M., Löwer, M., Diekmann, J. et al. | Mutant MHC class II epitopes drive therapeutic immune responses to cancer | 2015 | Nature Vol. 520(7549), pp. 692-696 | DOI URL |
| Nizkaya, T.V., Asmolov, E.S., Zhou, J., Schmid, F. and Vinogradova, O.I. | Flows and mixing in channels with misaligned superhydrophobic walls | 2015 | Physical Review E Vol. 91(3), pp. 033020 | DOI URL |
| Ouwersloot, H.G., Pozzer, A., Steil, B., Tost, H. and Lelieveld, J. | Revision of the convective transport module CVTRANS 2.4 in the EMAC atmospheric chemistry–climate model | 2015 | Geoscientific Model Development Vol. 8(8), pp. 2435-2445 | DOI URL |
| Pozzer, A., de Meij, A., Yoon, J., Tost, H., Georgoulias, A.K. and Astitha, M. | AOD trends during 2001–2010 from observations and model simulations | 2015 | Atmospheric Chemistry and Physics Vol. 15(10), pp. 5521-5535 | DOI URL |
| Qi, S., Klushin, L.I., Skvortsov, A.M., Polotsky, A.A. and Schmid, F. | Stimuli-Responsive Brushes with Active Minority Components: Monte Carlo Study and Analytical Theory | 2015 | Macromolecules Vol. 48(11), pp. 3775-3787 | DOI URL |
| Richard, D. and Speck, T. | The role of shear in crystallization kinetics: From suppression to enhancement | 2015 | Scientific Reports Vol. 5(1), pp. 1-7 | DOI URL |
| Schappert, S. and Wirth, V. | Origin and Flow History of Air Parcels in Orographic Banner Clouds | 2015 | Journal of the Atmospheric Sciences Vol. 72(9), pp. 3389-3403 | DOI URL |
| Scholtalbers, J., Boegel, S., Bukur, T., Byl, M., Goerges, S., Sorn, P. et al. | TCLP: an online cancer cell line catalogue integrating HLA type, predicted neo-epitopes, virus and gene expression | 2015 | Genome Medicine Vol. 7(1), pp. 118 | DOI URL |
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| González-Domínguez, J., Schmidt, B., Kässens, J.C. and Wienbrandt, L. | Hybrid CPU/GPU Acceleration of Detection of 2-SNP Epistatic Interactions in GWAS | 2014 | Euro-Par 2014 Parallel Processing, pp. 680-691 | DOI |
| Hundt, C., Schmidt, B. and Schömer, E. | CUDA-Accelerated Alignment of Subsequences in Streamed Time Series Data | 2014 | 2014 43rd International Conference on Parallel Processing, pp. 10-19 | DOI |
| Hundt, C. | GEM: an elastic and translation-invariant similarity measure with automatic trend adjustment. | 2014 | , pp. 105-112 | DOI |
| Kässens, J.C., González-Domínguez, J., Wienbrandt, L. and Schmidt, B. | UPC++ for bioinformatics: A case study using genome-wide association studies | 2014 | 2014 IEEE International Conference on Cluster Computing (CLUSTER), pp. 248-256 | DOI |
| Klingmüller, K., Steil, B., Brühl, C., Tost, H. and Lelieveld, J. | Sensitivity of aerosol radiative effects to different mixing assumptions in the AEROPT 1.0 submodel of the EMAC atmospheric-chemistry–climate model | 2014 | Geoscientific Model Development Vol. 7(5), pp. 2503-2516 | DOI URL |
| Mann, G.W., Carslaw, K.S., Reddington, C.L., Pringle, K.J., et al. | Intercomparison and evaluation of global aerosol microphysical properties among AeroCom models of a range of complexity | 2014 | Atmospheric Chemistry and Physics Vol. 14(9), pp. 4679-4713 | DOI URL |
| Rybka, H. and Tost, H. | Uncertainties in future climate predictions due to convection parameterisations | 2014 | Atmospheric Chemistry and Physics Vol. 14(11), pp. 5561-5576 | DOI URL |
| Tsigaridis, K., Daskalakis, N., Kanakidou, M., Adams, P.J., Artaxo, P., Bahadur, R., et al. | The AeroCom evaluation and intercomparison of organic aerosol in global models | 2014 | Atmospheric Chemistry and Physics Vol. 14(19), pp. 10845-10895 | DOI URL |
| Wienbrandt, L., Kässens, J.C., González-Domínguez, J., Schmidt, B., Ellinghaus, D. and Schimmler, M. | FPGA-based Acceleration of Detecting Statistical Epistasis in GWAS | 2014 | Procedia Computer Science Vol. 29, pp. 220-230 | DOI URL |
| Andreani, T., Albrecht, S., Fontaine, J.-F. and Andrade-Navarro, M.A. | Computational identification of cell-specific variable regions in ChIP-seq data | Nucleic Acids Research | DOI URL | |
| Moll, J., Wang, C., Päpcke, A., Förster, C., Resch-Genger, U., Lochbrunner, S. and Heinze, K. | Green Light Activation of Push-Pull Ruthenium(II) Complexes | Chemistry – A European Journal Vol. n/a(n/a) | DOI URL | |
| Rummel, L., Kaus, B.J.P., Baumann, T.S., White, R.W. and Riel, N. | Insights into the compositional evolution of crustal magmatic systems from coupled petrological-geodynamical models | Journal of Petrology | DOI URL |