SDL Materials Science
Materials science simulations face domain-specific challenges related to the extreme heterogeneity, diversity and complexity of materials data and models. An additional challenge is to extend the limits of state-of-the-art methods in terms of scalability, improving the numerical complexity and supporting the portability of high performance codes between different computer architectures, as well as enhancing the exploitation of existing data modeling and scalability frameworks by domain scientists. The main goal of the Simulation and Data Life Cycle Lab Materials Science within the “Engineering Digital Futures” program in Research Field Information of the Helmholtz Association is to bring together existing high performance computing, data science and software engineering methods to develop a tailored approach to address these domain-specific challenges through research and support in equal measure.
i2Batman
Together with partners at Forschungszentrum Jülich and Fritz Haber Institute Berlin, our goal is to develop a novel intelligent management system for electric batteries that can make better decisions about battery charging cycles based on a detailed surrogate model ("digital twin") of the battery and artificial intelligence.
Contacts: Hasan Kalkan, Dr. Ivan Kondov
Joint Lab MDMC
Within the framework of the Joint Lab "Integrated Model and Data Driven Materials Characterization" (MDMC), the SDL Materials Science is developing a concept for a data and information platform to make data on materials available in a knowledge-oriented way as an experimental basis for digital twins and for the development of simulation-based methods for predicting material structure and properties. It defines a metadata model to describe samples and datasets from experimental measurements and harmonizes data models for material simulation and correlative characterization using materials science vocabularies and ontologies.
Contacts: Dr. Rossella Aversa, Prof. Dr. Achim Streit
Joint Lab VMD
The SDL Materials Science develops methods, tools and architectural concepts for supercomputing and big data infrastructures, which are tailored to tackle the specific application challenges and to facilitate the digitalization in materials research and the creation of digital twins. In particular, the SDL develops a virtual research environment (VRE) that integrates computing and data storage resources in existing workflow managements systems and interactive environments for simulation and data analyses.
Contact: Dr. Ivan Kondov
Details: Virtual Materials Design (VirtMat)
NFDI4Chem
NFDI4Chem (National Research Data Infrastructure for Chemistry) is a German initiative dedicated to establishing a sustainable, FAIR-compliant (Findable, Accessible, Interoperable, and Reusable) data infrastructure for the field of chemistry. Its objective is to improve the management, dissemination, and reuse of chemical research data across disciplinary boundaries within the scientific community. By engaging chemists, data scientists, and relevant stakeholders, NFDI4Chem supports the creation of tools, standards, and best practices designed to optimize data handling processes throughout the entire research lifecycle, thereby enhancing data accessibility and collaboration.
Contact: Peter Krauß, Doris Ressmann
Details: Projektwebseite
NFDI4Ing
NFDI4Ing is an engineering consortium which promotes the management of technical research data. The consortium offers a unique method-oriented and user-centered approach to make technical research data FAIR (Findable, Accessible, Interoperable, Reusable). An important challenge is the large number of sub-disciplines in engineering and their subject-specific peculiarities. As part of NFDI4Ing, the SDL develops and implements the concepts for federated research data infrastructures, data management processes, repositories and metadata management in close cooperation with its partners.
Contact: Prof. Dr. Achim Streit
Details: Project Website
NFDI-MatWerk
The NFDI-MatWerk consortium is focused on the development of a knowledge-graph-based joint infrastructure for Materials research data. NFDI-MatWerk stands for Materials Science and Engineering to characterize the physical mechanisms in Materials Science and to develop resource-saving high-performance materials with the ideal properties for the respective applications. The SDL will work with the project partners to set up the Digital Materials Environment with the infrastructure services for research data and associated metadata.
Contact: Prof. Dr. Achim Streit
Details: Project Website
NFFA-Europe Pilot (NEP)
The NFFA-Europe Pilot (NEP) project provides access to facilities and resources for research at the nanoscale. In the project, the SDL contributes with new methods for metadata enrichment, innovative data and metadata management technologies, the development of large data collections, and the provision of virtual services to the establishment of a joint research data infrastructure.
Contact: Dr. Rossella Aversa
Details: Project Website
NHR
Within the National High performance Computing (NHR), the SDL Materials Science provides high-level support for the materials science community and conducts joint research and development. Here, the SDL will serve as a connective link to HPC operations, HPC methods development and computational materials science community.
Details: Project webpage
RTG 2450 / GRK 2450
This research training group of the DFG is focused on tailored scale-bridging approaches to computational nanoscience. The team from SDL Materials Science works to support doctoral researchers adopting novel methods and tools for workflow development and parallel multiscale computing.
Contact: Dr. Ivan Kondov
SDC MoMaF
The Science Data Center Molecular Materials Research (MoMaF) brings together core competencies in the field of research data management and data analysis for research areas ranging from chemistry to materials science. These cover the areas of software development, as well as analysis, provision and preservation of research data dealing with molecules and their interactions for the description of materials.
Details: Project webpage
ArFlock
ArFlock is a C++ program library ArFlock providing attractive and repulsive Particle Swarm Optimization (PSO) algorithms, different update rules, different models for the inertial weights, neighborhoods, and various velocity and search space constraints, such as periodic boundary conditions. Synchronous and asynchronous parallel PSO implementations are available and optimized for use on massively parallel machines.
Contact: Ivan Kondov
Details: www.scc.kit.edu/en/research/arflock
NAStJA
The NAStJA framework provides an easy way to enable massively parallel simulations for a wide range of multi-physics applications based on stencil algorithms. Applications including CellsInSilico for tissue development, phase-field method and phase-field crystal model for material science.
Contact: Marco Berghoff, Nikolai Pfisterer
Details: gitlab.com/nastja/nastja
NAStJA Viewer
A small and fast open source visualization tool for 3D image data. Perfect for a fast look into simulation data. Just open the files and sweep around. A complicated setup of various filters is unnecessary. It supports NAStJA‘s output files and beyond other file formats it is easily extensible.
Contact: Marco Berghoff
Details: gitlab.com/nastja/viewer
Publications
Kerzel, U.; Mathews, P.; Mouhib, F.-Z.; Siemer, N.; Kruzikova, P.; Hunke, S.; Ost, P.; Korte-Kerzel, S.; Hickel, T.
2024. Zenodo. doi:10.5281/zenodo.14184496
Brendike-Mannix, O.; Hofmann, V.; Pauly, C.; Kühbach, M.; Wollgarten, M.; Konijnenberg, P.; Schröder, R. R.; Aversa, R.; Brockhauser, S.; Özkan, Ö.; Azócar Guzmán, A.; Sedeqi, M. R.; Sandfeld, S.
2024, November 18. 3rd Helmholtz Metadata Collaboration Conference (2024), Online, November 4–6, 2024. doi:10.5281/zenodo.14178185
Ávila, L. A. Calderón; Shakeel, Y.; Gedsun, A.; Forti, M.
2024, September 26. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Hunke, S.; Shakeel, Y.; Moghaddam, A.; Stotzka, R.
2024, September 26. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Gedsun, A.; Shakeel, Y.
2024, September 24. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Pauly, C.; Joseph, R. E.; Vitali, E. G. G.; Aversa, R.; Stotzka, R.; Mücklich, F.; Engstler, M.; Hermann, H.-G.; Fell, J.
2024, September 24. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Abdildina, G.; Aversa, R.; Jejkal, T.; Ost, P.-J.
2024, September 24. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Chelbi, S.
2024, September 11. National Research Data Infrastructure for Materials Science and Engineering: NFDI-MatWerk Summer School (2024), Bremen, Germany, September 10–12, 2024
Aversa, R.
2024, September 11. National Research Data Infrastructure for Materials Science and Engineering: NFDI-MatWerk Summer School (2024), Bremen, Germany, September 10–12, 2024
Inckmann, M.; Jejkal, T.; Hartmann, V.; Pfeil, A.
2024, August 27. doi:10.5281/zenodo.13378984
Rejiba, K.; Mathews, P.; Siemer, N.; Kerzel, U.; Kruzikova, P.; Saikia, U.; Philipp, O.; Korte-Kerzel, S.; Hickel, T.
2024. Zenodo. doi:10.5281/zenodo.13220179
Ávila Calderón, L. A.; Alexander, L.; Shakeel, Y.; Schriever, S.; Gedsun, A.; Forti, M.; Jordan, H.; Han, Y.; Baer, O.; Aversa, R.; Olbricht, J.; Hammerschmidt, T.; Hickel, T.; Skrotzki, B.
2024. Zenodo. doi:10.5281/zenodo.11668376
Abdildina, G.; Aversa, R.; Kraus, F.; Ost, P.; Chelbi, S.; Jejkal, T.; Stotzka, R.; Blumenröhr, N.; Frank, L.; Götzelmann, G.; Hartmann, V.; Jha, V.; Pfeil, A.; Shakeel, Y.; Tögel, P.; Tonne, D.; Giulio, E.; Vitali, G.
2024, July 3. Helmholtz Metadata Collaboration Summer Meeting (HMC 2024), Kiel, Germany, July 2–5, 2024
Aversa, R.; Blumenröhr, N.; Vitali, E. G. G.; Recchia, A.
2024, June 19. Zenodo. doi:10.5281/zenodo.12168771
Blumenröhr, N.
2024, June 14. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Aversa, R.
2024, June 13. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Aversa, R.
2024, June 13. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Aversa, R.
2024, June 12. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Aversa, R.
2024, June 12. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Aversa, R.; Azmi, E.; Fischer, M.; Götz, M.
2024, May 2. Strategic Advisory Board (SAB) meeting for the Helmholtz Program EDF (2024), Karlsruhe, Germany, May 2, 2024
Schröder, R.; Hofmann, V.; Kühbach, M.; Pauly, C.; Aversa, R.; Brockhauser, S.; Azócar Guzmán, A.; Joseph, R. E.; Özkan, Ö.; Konijnenberg, P. J.; Wollgarten, M.; Mannix-Brendike, O.; Sandfeld, S.
2024, April 19. Conference on Frontiers of Aberration Corrected Electron Microscopy (PICO 2024), Kasteel Vaalsbroek, Netherlands, April 21–25, 2024. doi:10.5281/zenodo.11071439
Aversa, R.
2024, April 2. Frontiers in Correlative Material Characterization: Samples, Techniques, Instrumentation and Data Management (2024), Bad Honnef, April 2–5, 2024
Aversa, R.
2024, February 23. SIG Metadata and Ontologies Meeting (2024), Online, February 23, 2024
Aversa, R.
2024, February 22. 1st iENTRANCE@ENL Advanced School (2024), Rome, Italy, February 20–22, 2024
Aversa, R.; Boubnov, A.; De Angelis, D.; Eschke, C.; Irvine, S.; Joseph, R. E.; Kabbe, M.; MacKinnon, N.; Irene, M.; Panighel, M.; Thelen, R.; Valentinis, D.
2024. Zenodo. doi:10.5281/zenodo.10663833
Ost, P.
2024, February 15. TS4NFDI (2024), Online, February 15, 2024. doi:10.5445/IR/1000168463
Jejkal, T.; Inckmann, M.; Hartmann, V.; Aversa, R.; Vitali, E. G. G.
2024, February 13
Paszkiewicz, M.; Sukhova, M.; Dörfler, W.; Rockstuhl, C.
2024. Journal of the Optical Society of America A: Optics and Image Science, and Vision, 41 (2), 174 – 184. doi:10.1364/JOSAA.504950
De Giorgi, F.; Brandino, G. P.; Recchia, A.; Aversa, R.; Panighel, M.; Modolo, I.
2024, January 31. Zenodo. doi:10.5281/zenodo.10598472
Fonseca, L.; Colpo, P.; Ekinci, Y.; Kazazis, D.; Maximov, I.; Obradors, X.; Frontera, C.; Aversa, R.; Anson, S.; Stratakis, E.; Kavatzikidou, E.; Klini, A.; Piccinin, S.; Orani, D.
2024. doi:10.5281/zenodo.12700914
Aversa, R.
2023, November 29. iEntrance FAIR Data Day (2023), Bologna, Italy, November 29, 2023
Aversa, R.
2023, November 28. KNMFi User Meeting (2023), Ettlingen, Germany, November 28–29, 2023
Aversa, R.; Blumenröhr, N.; Recchia, A.; Tsibidis, G.; Pantazis, Y.
2023, November 23. Zenodo. doi:10.5281/zenodo.10201227
Aversa, R.; Panighel, M.; Recchia, A.; Chiucconi, Y.; Brandino, G. P.; Tsibidis, G.; Pantazis, Y.; Sfakianakis, I.; Grassano, D.
2023, November 19. Zenodo. doi:10.5281/zenodo.10156330
Abdildina, G.; Ernst, F.; Aversa, R.; Ost, P.-J.
2023, October 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, October 10–12, 2023
Vitali, E. G. G.; Jejkal, T.; Kirar, A.; Joseph, R. E.; Hartmann, V.; Blumenröhr, N.; Inckmann, M.; Aversa, R.; Stotzka, R.
2023, October 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, October 10–12, 2023
Ost, P.
2023. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000162885
Aversa, R.
2023, September 26. NFFA-Europe Workshop: FAIR and Open Data in NFFA-Europe Pilot and Beyond (2023), Garching bei München, Germany, September 26, 2023. doi:10.5281/zenodo.8383121
Politze, M.; Shakeel, Y.; Hunke, S.; Ost, P.; Aversa, R.; Heinrichs, B.; Lang, I.
2023, September 13. 1st Conference on Research Data Infrastructure (CoRDI 2023), Karlsruhe, Germany, September 12–14, 2023
Ost, P.; Shakeel, Y.; Tögel, P.
2023, September 12. 1st Conference on Research Data Infrastructure (CoRDI 2023), Karlsruhe, Germany, September 12–14, 2023
Blumenröhr, N.; Aversa, R.
2023. Research Ideas and Outcomes, 9, e108706. doi:10.3897/rio.9.e108706
Abdildina, G.; Ernst, F.; Aversa, R.; Ost, P.
2023, June 29. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Kirar, A.; Hunke, S.; Aversa, R.; Stotzka, R.; Heinrichs, B.; Shakeel, Y.; Joseph, R. E.
2023, June 29. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Hammerschmidt, T.; Forti, M.; Ávila, L. A. Calderón; Olbricht, J.; Skrotzki, B.; Gedsun, A.; Shakeel, Y.; Stotzka, R.
2023, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Ávila, L. A. Calderón; Hammerschmidt, T.; Shakeel, Y.; Gedsun, A.; Olbricht, J.; Aversa, R.; Stotzka, R.; Skrotzki, B.
2023, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Ost, P.; Stotzka, R.
2023, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Abdildina, G.; Heinrichs, B.; Joseph, R. E.; Kirar, A.; Vitali, E. G. G.; Aversa, R.
2023
Vitali, E. G. G.; Kirar, A.; Joseph, R. E.; Hartmann, V.; Blumenröhr, N.; Aversa, R.; Stotzka, R.
2023, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Jalali, M.; Mail, M.; Aversa, R.; Kübel, C.
2023. Materials Today Communications, 35, Art.-Nr.: 105532. doi:10.1016/j.mtcomm.2023.105532
Aversa, R.; Joseph, R.; Vitali, E.; Kirar, A.
2023, April 26. 1st Generelle KIT-Informationsveranstaltung MaTeLiS Pilot-Projekt Gerätepool (2023), Online, April 26, 2023
Joseph, R. E.; Vitali, E. G. G.; Kirar, A.; Aversa, R.
2023, April 14. National Research Data Infrastructure for Materials Science and Engineering TA-MDI Working Meeting RWTH Aachen (NFDI-MatWerk 2023), Aachen, Germany, April 12–14, 2023
Shakeel, Y.; Abdildina, G.; Aversa, R.; Ávila, L. A. Calderón; Blumenröhr, N.; Diebels, S.; Engstler, M.; Fell, J.; Fritzen, F.; Hartmann, V.; Herrmann, H.-G.; Jejkal, T.; Joseph, R.; Kirar, A.; Laadhar, A.; Mücklich, F.; Olbricht, J.; Ost, P.; Pauly, C.; Pfeil, A.; Roland, M.; Skrotzki, B.; Soysal, M.; Stotzka, R.; Vitali, E. G. G.
2023, March 9. All-Hands-on-Deck congress from the NFDI-MatWerk (2023), Siegburg, Germany, March 8–9, 2023
Vitali, E. G. G.; Joseph, R. E.; Aversa, R.
2023, March 9. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Germany, March 8–9, 2023
Aversa, R.; Abdildina, G.; Chelbi, S.; Ernst, F.; Jejkal, T.; Joseph, R.; Kirar, A.; Ost, P.; Pfeil, A.; Shakeel, Y.; Stotzka, R.; Vitali, E.; Grünwald, K.; Hunke, S.; Moghaddam, A.; Politze, M.
2023, March 9. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Germany, March 8–9, 2023
Joseph, R. E.; Aversa, R.
2023, March 9. 2nd Workshop "Joint Lab : Integrated Model and Data Driven Material Characterization" (MDMC 2023), Jülich, Germany, March 8–10, 2023
Shakeel, Y.; Hunke, S.
2023, March 8. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Germany, March 8–9, 2023
Kuhn, L.; Repän, T.; Rockstuhl, C.
2023. APL Photonics, 8 (3), Article no: 036109. doi:10.1063/5.0139004
Joseph, R. E.; Vitali, E. G. G.; Aversa, R.
2023, February 27. MaRDA Annual Meeting (2023), Online, February 21–23, 2023. doi:10.21955/materialsopenres.1115090.1
Politze, M.; Shakeel, Y.; Hunke, S.; Ost, P.; Aversa, R.; Heinrichs, B.; Lang, I.
2023. Proceedings of the Conference on Research Data Infrastructure, 1. doi:10.52825/cordi.v1i.348
Ost, P.; Shakeel, Y.; Tögel, P.
2023. Proceedings of the Conference on Research Data Infrastructure. Ed.: Y. Sure-Vetter. Vol. 1, 3 S., Technische Informationsbibliothek Open Publishing (TIB Open Publishing). doi:10.52825/cordi.v1i.405
Aversa, R.; MacKinnon, N.; Blumenröhr, N.
2023. 3rd Workshop on Metadata and Research (objects) Management for Linked Open Science (DaMaLOS 2023) - Co-located with Extended Semantic Web Conference (ESWC), Online, 28.-29.05.2023, paper 5349. doi:10.4126/FRL01-006444992
Kondov, I.
2023. arxiv. doi:10.48550/arXiv.2302.03516
Blumenröhr, N.; Aversa, R.
2022, October 5. 1st Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2022), Online, October 5–6, 2022. doi:10.5281/zenodo.7243871
Ihsan, A. Z.; Fathalla, S.; Aversa, R.; Jalali, M.; Panighel, M.; Osmenaj, E.; Hofmann, V.; Sandfeld, S.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022. doi:10.5281/zenodo.7432171
Stotzka, R.; Aversa, R.; Bitzek, E.; Golowin, N.; Grünwald, K.; Hunke, S.; Joseph, R.; Moghaddam, A.; Ost, P.; Politze, M.; Shakeel, Y.; Soysal, M.; Vitali, E.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
Stotzka, R.; Abdildina, G.; Aversa, R.; Blumenröhr, N.; Chelbi, S.; Duda, L.; Ernst, F.; Frank, L.; Götzelmann, G.; Hartmann, V.; Inckmann, M.; Jejkal, T.; Jha, V.; Joseph, R.; Ost, P.; Pfeil, A.; Shakeel, Y.; Soysal, M.; Tonne, D.; Tögel, P.; Vitali, E.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
Ost, P.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
Shakeel, Y.; Soysal, M.; Vitali, E.; Ost, P.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
Yakutovich, A.; Pizzi, G.; Marzari, N.; Aversa, R.; Brandino, G. P.; Panighel, M.
2022. Zenodo. doi:10.5281/zenodo.7057955
Franzon, M.; Osmenaj, E.; Panighel, M.; Rodani, T.; Brandino, G. P.; Aversa, R.
2022. Zenodo. doi:10.5281/zenodo.7057941
Blumenröhr, N.; Jejkal, T.; Stotzka, R.
2022, June 20. 19th International Data Week : A Festival of Data / Plenary meeting (RDA 2022), Seoul, South Korea, June 20–23, 2022
Bumüller, D.; Yohannes, A. G.; Kohaut, S.; Kondov, I.; Kappes, M. M.; Fink, K.; Schooss, D.
2022. The Journal of Physical Chemistry A, 126 (22), 3502–3510. doi:10.1021/acs.jpca.2c02142
Blumenröhr, N.; Jejkal, T.; Pfeil, A.; Stotzka, R.
2022, June 2. Helmholtz Artificial Intelligence Conference (Helmholtz AI 2022), Dresden, Germany, June 2–3, 2022
Aversa, R.; Brandino, G. P.; Chelbi, S.; Hartmann, V.; Jejkal, T.
2022. Zenodo. doi:10.5281/zenodo.7057084
Yohannes, A. G.; Fink, K.; Kondov, I.
2022. Nanoscale Advances, 4 (21), 4554–4569. doi:10.1039/D2NA00490A
Roozmeh, M.; Kondov, I.
2022. Computational Science – ICCS 2022. Pt. 4. Ed.: D. Groen, 69–82, Springer Nature Switzerland. doi:10.1007/978-3-031-08760-8_6
Salmanion, M.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2022. Inorganic chemistry, 61 (4), 2292–2306. doi:10.1021/acs.inorgchem.1c03665
Schaarschmidt, J.; Yuan, J.; Strunk, T.; Kondov, I.; Huber, S. P.; Pizzi, G.; Kahle, L.; Bölle, F. T.; Castelli, I. E.; Vegge, T.; Hanke, F.; Hickel, T.; Neugebauer, J.; Rêgo, C. R. C.; Wenzel, W.
2022. Advanced Energy Materials, 12 (17), Art.-Nr.: 2102638. doi:10.1002/aenm.202102638
Andersen, C. W.; Armiento, R.; Blokhin, E.; Conduit, G. J.; Dwaraknath, S.; Evans, M. L.; Fekete, Á.; Gopakumar, A.; Gražulis, S.; Merkys, A.; Mohamed, F.; Oses, C.; Pizzi, G.; Rignanese, G.-M.; Scheidgen, M.; Talirz, L.; Toher, C.; Winston, D.; Aversa, R.; Choudhary, K.; Colinet, P.; Curtarolo, S.; Di Stefano, D.; Draxl, C.; Er, S.; Esters, M.; Fornari, M.; Giantomassi, M.; Govoni, M.; Hautier, G.; Hegde, V.; Horton, M. K.; Huck, P.; Huhs, G.; Hummelshøj, J.; Kariryaa, A.; Kozinsky, B.; Kumbhar, S.; Liu, M.; Marzari, N.; Morris, A. J.; Mostofi, A. A.; Persson, K. A.; Petretto, G.; Purcell, T.; Ricci, F.; Rose, F.; Scheffler, M.; Speckhard, D.; Uhrin, M.; Vaitkus, A.; Villars, P.; Waroquiers, D.; Wolverton, C.; Wu, M.; Yang, X.
2021. Scientific data, 8 (1), Art.-Nr.: 217. doi:10.1038/s41597-021-00974-z
Aversa, R.; Jejkal, T.; Panighel, M.; Modolo, I.; Osmenaj, E.; Brandino, G. P.
2021. Zenodo. doi:10.5281/zenodo.6984650
Joseph, R.; Chauhan, A.; Eschke, C.; Ihsan A.; Jalali, M.; Jäntsch, U.; Jung, N.; Kumar, C. N. S.; Kübel, C.; Lucas, C.; Mail, M.; Mazilkin, A.; Neidiger, C.; Panighel, M.; Sandfeld, S.; Stotzka, R.; Thelen, R.; Aversa, R.
2021, November 4. Research Data Alliance Virtual Plenary 18 (2021), Online, October 27–November 11, 2021
Iglezakis, D.; Fuhrmans, M.; Arndt, S.; Demandt, É.; Hachinger, S.; Hausen, D.; Lanza, G.; Lipp, J.; Stotzka, R.; Terzijska, D.
2021. Bausteine Forschungsdatenmanagement, (2), 124–135. doi:10.17192/bfdm.2021.2.8313
Eberl, C.; Niebel, M.; Bitzek, E.; Dahmen, T.; Fritzen, F.; Gumbsch, P.; Hickel, T.; Klein, S.; Mücklich, F.; Müller, M. S.; Neugebauer, J.; Pauly, C.; Politze, M.; Sack, H.; Sandfeld, S.; Schwaiger, R.; Slusallek, P.; Stotzka, R.; Streit, A.; Zimmermann, M.
2021. Zenodo. doi:10.5281/zenodo.5082837
Joseph, R.; Chauhan, A.; Eschke, C.; Ihsan, A. Z.; Jalali, M.; Jäntsch, U.; Jung, N.; Shyam Kumar, C. N.; Kübel, C.; Lucas, C.; Mail, M.; Mazilkin, A.; Neidiger, C.; Panighel, M.; Sandfeld, S.; Stotzka, R.; Thelen, R.; Aversa, R.
2021. Supplementary Proceedings of the XXIII International Conference on Data Analytics and Management in Data Intensive Domains (DAMDID/RCDL 2021): Moscow, Russia, October 26-29, 2021. Ed.: A. Pozanenko, 265–277, CEUR-WS.org
Koepler, O.; Schrade, T.; Neumann, S.; Stotzka, R.; Wiljes, C.; Blümel, I.; Bracht, C.; Hamann, T.; Arndt, S.; Hunold, J.
2021. Zenodo. doi:10.5281/zenodo.5619089
Pfisterer, N.; Berghoff, M.; Streit, A.
2021. Proceedings 29th Euromicro International Conference on Parallel, Distributed and Network-Based Processing PDP 2021: Valladolid, Spain ; 10-12 March 2021, 228–235, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/PDP52278.2021.00043
Akbari, N.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2021. Inorganic Chemistry, 60 (8), 5682–5693. doi:10.1021/acs.inorgchem.0c03746
Roozmeh, M.; Kondov, I.
2020. IEEE/ACM Workflows in Support of Large-Scale Science (WORKS), 9–16, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/WORKS51914.2020.00007
Berghoff, M.; Rosenbauer, J.; Hoffmann, F.; Schug, A.
2020. BMC bioinformatics, 21 (1), 436. doi:10.1186/s12859-020-03728-7
Berghoff, M.; Rosenbauer, J.; Schug, A.
2020. NIC Symposium 2020 : [27-28 February 2020], 63–71, Forschungszentrum Jülich
Rosenbauer, J.; Berghoff, M.; Schug, A. H.
2020. Biophysical journal, 118 (3), 348a. doi:10.1016/j.bpj.2019.11.2006
Schmitt, R. H.; Anthofer, V.; Auer, S.; Başkaya, S.; Bischof, C.; Bronger, T.; Claus, F.; Cordes, F.; Demandt, É.; Eifert, T.; Flemisch, B.; Fuchs, M.; Fuhrmans, M.; Gerike, R.; Gerstner, E.-M.; Hanke, V.; Heine, I.; Huebser, L.; Iglezakis, D.; Jagusch, G.; Klinger, A.; Krafczyk, M.; Kraft, A.; Kuckertz, P.; Küsters, U.; Lachmayer, R.; Langenbach, C.; Mozgova, I.; Müller, M. S.; Nestler, B.; Pelz, P.; Politze, M.; Preuß, N.; Przybylski-Freund, M.-D.; Rißler-Pipka, N.; Robinius, M.; Schachtner, J.; Schlenz, H.; Schwarz, A.; Schwibs, J.; Selzer, M.; Sens, I.; Stäcker, T.; Stemmer, C.; Stille, W.; Stolten, D.; Stotzka, R.; Streit, A.; Strötgen, R.; Wang, W. M.
2020. Zenodo. doi:10.5281/zenodo.4015201
Vandichel, M.; Laasonen, K.; Kondov, I.
2020. Topics in catalysis, 63, 833–845. doi:10.1007/s11244-020-01334-8
Rosenbauer, J.; Berghoff, M.; Schug, A.
2020. bioRxiv beta. doi:10.1101/2020.08.24.264150
Berghoff, M.; Frank, M.; Seibold, B.
2020. Computational Science – ICCS 2020 : 20th International Conference, Amsterdam, The Netherlands, June 3–5, 2020. Proceedings. Part 7. Ed.: V. Krzhizhanovskaya, 242–256, Springer Nature. doi:10.1007/978-3-030-50436-6_18
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9
Guerdane, M.; Berghoff, M.
2018. Physical review / B, 97 (14), 144105. doi:10.1103/PhysRevB.97.144105
Faubert, P.; Kondov, I.; Qazzazie, D.; Yurchenko, O.; Müller, C.
2018. MRS communications, 8 (01), 160–167. doi:10.1557/mrc.2018.13
Berghoff, M.; Kondov, I.
2018. 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), Dallas, TX, USA, November 12, 2018, 25–32, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ScalA.2018.00007
Berghoff, M.
2018. SCC-News, (1), 25–27
Berghoff, M.; Kondov, I.; Hötzer, J.
2018. IEEE transactions on parallel and distributed systems, 29 (10), 2282–2296. doi:10.1109/TPDS.2018.2819672
Kondov, I.; Faubert, P.; Müller, C.
2017. Electrochimica acta, 236, 260–272. doi:10.1016/j.electacta.2017.03.123
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Dr. Kondov, Ivan | +49 721 608-28644 | ivan kondov ∂ kit edu |
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Dr. Aversa, Rossella | +49 721 608-28546 | rossella aversa ∂ kit edu |
Name | Tel. | |
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Dr. Aversa, Rossella | +49 721 608-28546 | rossella aversa ∂ kit edu |
Blumenröhr, Nicolas | +49 721 608-26959 | nicolas blumenroehr ∂ kit edu |
Dr. Cortés Mejia, Rodrigo | rodrigo mejia ∂ kit edu | |
Inckmann, Maximilian | +49 721 608-28033 | maximilian inckmann ∂ kit edu |
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Dr. Kondov, Ivan | +49 721 608-28644 | ivan kondov ∂ kit edu |
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Ressmann, Doris | +49 721 608-28766 | doris ressmann ∂ kit edu |
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