Alexander Hoffmann
Orcid: 0000-0002-5607-3845
According to our database1,
Alexander Hoffmann
authored at least 34 papers
between 2008 and 2025.
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Bibliography
2025
Gyselalib++: A Portable C++ Library for Semi-Lagrangian Kinetic and Gyrokinetic Simulations.
J. Open Source Softw., September, 2025
Teaching RDM in a smart advanced inorganic lab course and its provision in the DALIA platform.
CoRR, September, 2025
2023
Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III).
J. Comput. Chem., January, 2023
Proceedings of the 1st Conference on Research Data Infrastructure - Connecting Communities, 2023
2022
TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson.
J. Cheminformatics, 2022
2021
PLoS Comput. Biol., 2021
Analytische Ermittlung der Leiter-Leiter-Kapazität von Zweischichtwicklungen unter Berücksichtigung des Zwischenschiebers zur Vorausberechnung der Potenzialverteilung in der Ständerwicklung umrichtergespeister elektrischer Maschinen.
Elektrotech. Informationstechnik, 2021
2019
PLoS Comput. Biol., 2019
The MASi repository service - Comprehensive, metadata-driven and multi-community research data management.
Future Gener. Comput. Syst., 2019
2018
Gathering requirements for advancing simulations in HPC infrastructures via science gateways.
Future Gener. Comput. Syst., 2018
Performance Evaluation of the Metadata-Driven MASi Research Data Management Repository Service.
Proceedings of the 26th Euromicro International Conference on Parallel, 2018
2017
Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support.
J. Grid Comput., 2017
2016
Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry.
J. Cheminformatics, 2016
Using Science Gateways for Bridging the Differences between Research Infrastructures.
J. Grid Comput., 2016
Proceedings of the 8th International Workshop on Science Gateways, 2016
2015
The Cu<sub>2</sub>O<sub>2</sub> torture track for a real-life system: [Cu<sub>2</sub>(btmgp)<sub>2</sub>O<sub>2</sub>]<sup>2+</sup> oxo and peroxo species in density functional calculations.
J. Comput. Chem., 2015
Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (Part II).
J. Comput. Chem., 2015
Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability.
Proceedings of the 2015 International Conference on High Performance Computing & Simulation, 2015
Proceedings of the 11th IEEE International Conference on e-Science, 2015
2014
Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II).
J. Comput. Chem., 2014
Insights into the influence of dispersion correction in the theoretical treatment of guanidine-quinoline copper(I) complexes.
J. Comput. Chem., 2014
Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway.
Proceedings of the 6th International Workshop on Science Gateways, 2014
Proceedings of the 6th International Workshop on Science Gateways, 2014
Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community.
Proceedings of the Science Gateways for Distributed Computing Infrastructures, 2014
2013
Characterizing the Relationship between Steady State and Response Using Analytical Expressions for the Steady States of Mass Action Models.
PLoS Comput. Biol., 2013
A Protein Turnover Signaling Motif Controls the Stimulus-Sensitivity of Stress Response Pathways.
PLoS Comput. Biol., 2013
Dual Delayed Feedback Provides Sensitivity and Robustness to the NF-<i>κ</i>B Signaling Module.
PLoS Comput. Biol., 2013
Orbital analysis of Oxo and Peroxo Dicopper Complexes via Quantum Chemical Workflows in MoSGrid.
Proceedings of the 5th International Workshop on Science Gateways, 2013
Proceedings of the 5th International Workshop on Science Gateways, 2013
Proceedings of the 2013 IEEE International Conference on Cluster Computing, 2013
2009
Proceedings of the 27th International Conference on Human Factors in Computing Systems, 2009
2008
Proceedings of the Knowledge Management In Action, 2008
Proceedings of the Learning from the past & charting the future of the discipline. 14th Americas Conference on Information Systems, 2008