Publikationsliste

Integration of controlled vocabularies or ontologies in metadata schemas
Abdildina, G.; Aversa, R.; Jejkal, T.; Ost, P.-J.
2024, September 24. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Deutschland, 24.–26. September 2024

Metadata Management in practice using MatWerk tools
Chelbi, S.
2024, September 11. National Research Data Infrastructure for Materials Science and Engineering: NFDI-MatWerk Summer School (2024), Bremen, Deutschland, 10.–12. September 2024

The journey towards metadata management
Aversa, R.
2024, September 11. National Research Data Infrastructure for Materials Science and Engineering: NFDI-MatWerk Summer School (2024), Bremen, Deutschland, 10.–12. September 2024

mapping-service
Inckmann, M.; Jejkal, T.; Hartmann, V.; Pfeil, A.
2024, August 27. doi:10.5281/zenodo.13378984

NFDI-MatWerk/IUC02 Data schema for creep data of Ni-based superalloys including a comprehensive documentation of test results and metadata
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

Easy Creation of Controlled Vocabularies Using EVOKS
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, Juli 3. Helmholtz Metadata Collaboration Summer Meeting (HMC 2024), Kiel, Deutschland, 2.–5. Juli 2024

NFFA-Europe Pilot - D9.3 - Integration of the second set of the VA offer
Aversa, R.; Blumenröhr, N.; Vitali, E. G. G.; Recchia, A.
2024, Juni 19. Zenodo. doi:10.5281/zenodo.12168771

A Lightweight Introduction to FAIR Digital Objects
Blumenröhr, N.
2024, Juni 14. NEP Summer School on Data Management and Virtual Access (2024), Iraklio, Griechenland, 12.–14. Juni 2024

Research data usecase: Scanning Electron Microscopy
Aversa, R.
2024, Juni 13. NEP Summer School on Data Management and Virtual Access (2024), Iraklio, Griechenland, 12.–14. Juni 2024

How to describe data: Metadata Schemas
Aversa, R.
2024, Juni 13. NEP Summer School on Data Management and Virtual Access (2024), Iraklio, Griechenland, 12.–14. Juni 2024

Introduction to FAIR Principles
Aversa, R.
2024, Juni 12. NEP Summer School on Data Management and Virtual Access (2024), Iraklio, Griechenland, 12.–14. Juni 2024

NEP Summer School on Data Management and Virtual Access: basics and motivations
Aversa, R.
2024, Juni 12. NEP Summer School on Data Management and Virtual Access (2024), Iraklio, Griechenland, 12.–14. Juni 2024

Simulation and Data Life Cycle Labs at SCC
Aversa, R.; Azmi, E.; Fischer, M.; Götz, M.
2024, Mai 2. Strategic Advisory Board (SAB) meeting for the Helmholtz Program EDF (2024), Karlsruhe, Deutschland, 2. Mai 2024

Metadata Management in Correlative Characterization: Tales from the Metadata WG
Aversa, R.
2024, April 2. Frontiers in Correlative Material Characterization: Samples, Techniques, Instrumentation and Data Management (2024), Bad Honnef, 2.–5. April 2024

Building the MDMC-NEP Glossary
Aversa, R.
2024, Februar 23. SIG Metadata and Ontologies Meeting (2024), Online, 23. Februar 2024

Metadata Management in Scientific Research: an overview
Aversa, R.
2024, Februar 22. 1st iENTRANCE@ENL Advanced School (2024), Rom, Italien, 20.–22. Februar 2024

The MDMC-NEP Glossary of Terms
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

A Lightning Introduction to the NFDI4Ing Data Collections Explorer
Ost, P.
2024, Februar 15. TS4NFDI (2024), Online, 15. Februar 2024. doi:10.5445/IR/1000168463

Mapping Service
Jejkal, T.; Inckmann, M.; Hartmann, V.; Aversa, R.; Vitali, E. G. G.
2024, Februar 13

Approximation method for fast calculation of transmission in multi-mode waveguides
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

NFFA-Europe Pilot - D2.5 - First assessment of the data management procedures
De Giorgi, F.; Brandino, G. P.; Recchia, A.; Aversa, R.; Panighel, M.; Modolo, I.
2024, Januar 31. Zenodo. doi:10.5281/zenodo.10598472

kit-data-manager/NEP_services: First Production Release
Blumenröhr, N.
2024. doi:10.5281/zenodo.13742141

D2.7 : Second assessment of access provision
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

Discovering Process Dynamics for Scalable Perovskite Solar Cell Manufacturing with Explainable AI
Klein, L.; Ziegler, S.; Laufer, F.; Debus, C.; Götz, M.; Maier-Hein, K.; Paetzold, U. W.; Isensee, F.; Jäger, P. F.
2024. Advanced Materials, 36 (7), Art.-Nr.: 2307160. doi:10.1002/adma.202307160

Successful stories in NFFA-Europe Pilot and beyond
Aversa, R.
2023, November 29. iEntrance FAIR Data Day (2023), Bologna, Italien, 29. November 2023

Handling and Storing Metadata
Aversa, R.
2023, November 28. KNMFi User Meeting (2023), Ettlingen, Deutschland, 28.–29. November 2023

NFFA-Europe Pilot - D16.4 - Report on additional data services
Aversa, R.; Blumenröhr, N.; Recchia, A.; Tsibidis, G.; Pantazis, Y.
2023, November 23. Zenodo. doi:10.5281/zenodo.10201227

NFFA-Europe Pilot - D9.2 - Integration of the first VA services into the platform
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

Using EVOKS to build controlled vocabularies
Abdildina, G.; Ernst, F.; Aversa, R.; Ost, P.-J.
2023, Oktober 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, 10.–12. Oktober 2023

A Tool for Automatic Metadata Extraction and Schema Mapping for SEM Images
Vitali, E. G. G.; Jejkal, T.; Kirar, A.; Joseph, R. E.; Hartmann, V.; Blumenröhr, N.; Inckmann, M.; Aversa, R.; Stotzka, R.
2023, Oktober 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, 10.–12. Oktober 2023

A Short Introduction to the Data Collections Explorer
Ost, P.
2023. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000162885

Successful stories in NFFA-Europe Pilot and beyond
Aversa, R.
2023, September 26. NFFA-Europe Workshop: FAIR and Open Data in NFFA-Europe Pilot and Beyond (2023), Garching bei München, Deutschland, 26. September 2023. doi:10.5281/zenodo.8383121

Long Term Interoperability of Distributed Research Data Infrastructures
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, Deutschland, 12.–14. September 2023

Data Collections Explorer – An Easy-to-Use Tool for Sharing and Discovering Research Data
Ost, P.; Shakeel, Y.; Tögel, P.
2023, September 12. 1st Conference on Research Data Infrastructure (CoRDI 2023), Karlsruhe, Deutschland, 12.–14. September 2023

From implementation to application: FAIR digital objects for training data composition
Blumenröhr, N.; Aversa, R.
2023. Research Ideas and Outcomes, 9, e108706. doi:10.3897/rio.9.e108706

A Controlled Vocabulary for Acronyms of NFDI-MatWerk Using the Vocabulary Service EVOKS
Abdildina, G.; Ernst, F.; Aversa, R.; Ost, P.
2023, Juni 29. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

Linking Research Data
Kirar, A.; Hunke, S.; Aversa, R.; Stotzka, R.; Heinrichs, B.; Shakeel, Y.; Joseph, R. E.
2023, Juni 29. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

Demonstration of the Infrastructure Use Case 02: Framework for curation and distribution of reference datasets
Hammerschmidt, T.; Forti, M.; Ávila, L. A. Calderón; Olbricht, J.; Skrotzki, B.; Gedsun, A.; Shakeel, Y.; Stotzka, R.
2023, Juni 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

Framework for Curation and Distribution of Reference Datasets Example: Creep Data of Ni-Base Superalloys
Ávila, L. A. Calderón; Hammerschmidt, T.; Shakeel, Y.; Gedsun, A.; Olbricht, J.; Aversa, R.; Stotzka, R.; Skrotzki, B.
2023, Juni 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

Data Collections Explorer – An Information System for the Engineering Sciences
Ost, P.; Stotzka, R.
2023, Juni 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

Applying Metadata Management: Extraction, Mapping & Visualisation
Abdildina, G.; Heinrichs, B.; Joseph, R. E.; Kirar, A.; Vitali, E. G. G.; Aversa, R.
2023

Metadata Extraction Tool and Schema Mapper for Scanning Electron Microscopy (SEM) images
Vitali, E. G. G.; Kirar, A.; Joseph, R. E.; Hartmann, V.; Blumenröhr, N.; Aversa, R.; Stotzka, R.
2023, Juni 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Deutschland, 27.–29. Juni 2023

MSLE: An ontology for materials science laboratory equipment – Large-scale devices for materials characterization
Jalali, M.; Mail, M.; Aversa, R.; Kübel, C.
2023. Materials Today Communications, 35, Art.-Nr.: 105532. doi:10.1016/j.mtcomm.2023.105532

Extracting, Mapping, Editing SEM Metadata
Aversa, R.; Joseph, R.; Vitali, E.; Kirar, A.
2023, April 26. 1st Generelle KIT-Informationsveranstaltung MaTeLiS Pilot-Projekt Gerätepool (2023), Online, 26. April 2023

Metadata Extraction and Mapping Service
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, Deutschland, 12.–14. April 2023

Process Insights into Perovskite Thin‐Film Photovoltaics from Machine Learning with In Situ Luminescence Data
Laufer, F.; Ziegler, S.; Schackmar, F.; Viteri, E. A. M.; Götz, M.; Debus, C.; Isensee, F.; Paetzold, U. W.
2023. Solar RRL, 7 (7), Art.-Nr.: 2201114. doi:10.1002/solr.202201114

Creating Exemplary RDM Reference Datasets: Technical Process Overview
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, März 9. All-Hands-on-Deck congress from the NFDI-MatWerk (2023), Siegburg, Deutschland, 8.–9. März 2023

Metadata Extraction Tool and Schema Mapper for Scanning Electron Microscopy (SEM) images
Vitali, E. G. G.; Joseph, R. E.; Aversa, R.
2023, März 9. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Deutschland, 8.–9. März 2023

Conceptual Map of TA-MDI Results
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, März 9. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Deutschland, 8.–9. März 2023

The Scheme for a Metadata Schema - Unlocking the Power of Schemas
Joseph, R. E.; Aversa, R.
2023, März 9. 2nd Workshop "Joint Lab : Integrated Model and Data Driven Material Characterization" (MDMC 2023), Jülich, Deutschland, 8.–10. März 2023

Proposed MDI – Architecture Concept Draft
Shakeel, Y.; Hunke, S.
2023, März 8. 2nd National Research Data Infrastructure for Materials Science and Engineering : All-Hands-on-Deck (NFDI-MatWerk 2023), Siegburg, Deutschland, 8.–9. März 2023

Exploiting graph neural networks to perform finite-difference time-domain based optical simulations
Kuhn, L.; Repän, T.; Rockstuhl, C.
2023. APL Photonics, 8 (3), Article no: 036109. doi:10.1063/5.0139004

Scanning Electron Microscopy (SEM) - Metadata extraction tool and schema mapper
Joseph, R. E.; Vitali, E. G. G.; Aversa, R.
2023, Februar 27. MaRDA Annual Meeting (2023), Online, 21.–23. Februar 2023. doi:10.21955/materialsopenres.1115090.1

Long Term Interoperability of Distributed Research Data Infrastructures
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

Data Collections Explorer – An Easy-to-Use Tool for Sharing and Discovering Research Data
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

FAIR Data Management Workflow for MRI Data
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

Polynomial propagators for classical molecular dynamics
Kondov, I.
2023. arxiv. doi:10.48550/arXiv.2302.03516

NFDI4Ing Data Collections Explorer
Ost, P.
2022, Oktober 7

Using Schema-based Metadata for Image Labels accessed with FAIR Digital Objects
Blumenröhr, N.; Aversa, R.
2022, Oktober 5. 1st Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2022), Online, 5.–6. Oktober 2022. doi:10.5281/zenodo.7243871

Domain level ontology design: DISO and MDMC-NEP Provenance
Ihsan, A. Z.; Fathalla, S.; Aversa, R.; Jalali, M.; Panighel, M.; Osmenaj, E.; Hofmann, V.; Sandfeld, S.
2022, Oktober 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, 5.–6. Oktober 2022. doi:10.5281/zenodo.7432171

NFDI MatWerk / Materials Data Infrastructure
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, Oktober 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, 5.–6. Oktober 2022

FAIR Data Commons / Essential Services and Tools for Metadata Management Supporting Science
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, Oktober 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, 5.–6. Oktober 2022

Data Collections Explorer
Ost, P.
2022, Oktober 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, 5.–6. Oktober 2022

NFDI-MatWerk - Reference Datasets
Shakeel, Y.; Soysal, M.; Vitali, E.; Ost, P.
2022, Oktober 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, 5.–6. Oktober 2022

NFFA-Europe Pilot - D16.3 - Identification of good practices for data provenance
Yakutovich, A.; Pizzi, G.; Marzari, N.; Aversa, R.; Brandino, G. P.; Panighel, M.
2022. Zenodo. doi:10.5281/zenodo.7057955

NFFA-Europe Pilot - D16.2 - Report on the first data services
Franzon, M.; Osmenaj, E.; Panighel, M.; Rodani, T.; Brandino, G. P.; Aversa, R.
2022. Zenodo. doi:10.5281/zenodo.7057941

FAIR Digital Object Concept for Composing Machine Learning Training Data
Blumenröhr, N.; Jejkal, T.; Stotzka, R.
2022, Juni 20. 19th International Data Week : A Festival of Data / Plenary meeting (RDA 2022), Seoul, Südkorea, 20.–23. Juni 2022

Structures of Small Platinum Cluster Anions Pt${}_n$${}^{-}$: Experiment and Theory
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

FAIR Digital Object for Accessing Label Information of ML Training Data Stored in a Metadata Schema
Blumenröhr, N.; Jejkal, T.; Pfeil, A.; Stotzka, R.
2022, Juni 2. Helmholtz Artificial Intelligence Conference (Helmholtz AI 2022), Dresden, Deutschland, 2.–3. Juni 2022

NFFA-Europe Pilot - D9.1 - Deployment of the VA service prototypes
Aversa, R.; Brandino, G. P.; Chelbi, S.; Hartmann, V.; Jejkal, T.
2022. Zenodo. doi:10.5281/zenodo.7057084

Pt nanoparticles under oxidizing conditions – implications of particle size, adsorption sites and oxygen coverage on stability
Yohannes, A. G.; Fink, K.; Kondov, I.
2022. Nanoscale Advances, 4 (21), 4554–4569. doi:10.1039/D2NA00490A

Automating and Scaling Task-Level Parallelism of Tightly Coupled Models via Code Generation
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

Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline Conditions
Salmanion, M.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2022. Inorganic chemistry, 61 (4), 2292–2306. doi:10.1021/acs.inorgchem.1c03665

Workflow Engineering in Materials Design within the BATTERY 2030+ Project
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

OPTIMADE, an API for exchanging materials data
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

D16.1 - Design of the service platform
Aversa, R.; Jejkal, T.; Panighel, M.; Modolo, I.; Osmenaj, E.; Brandino, G. P.
2021. Zenodo. doi:10.5281/zenodo.6984650

Metadata Schemas for FAIR* Data in Materials Science: Scanning Electron Microscopy (SEM) Use Case : A detailed and practical schema developed in cooperation with materials scientists
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, 27. Oktober–11. November 2021

Interoperabilität von Metadaten innerhalb der NFDI: Konsortienübergreifender Metadaten-Workshop am 2./3. Juli 2020
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

Consortium Proposal NFDI-MatWerk
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

Metadata schema to support FAIR data in scanning electron microscopy
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

Sektionskonzept Meta(daten), Terminologien und Provenienz zur Einrichtung einer Sektion im Verein Nationale Forschungsdateninfrastruktur (NFDI) e.V
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

On GPU optimizations of stencil codes for highly parallel simulations
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

Oxygen-Evolution Reaction by a Palladium Foil in the Presence of Iron
Akbari, N.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2021. Inorganic Chemistry, 60 (8), 5682–5693. doi:10.1021/acs.inorgchem.0c03746

Workflow Generation with wfGenes
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

Cells in Silico – introducing a high-performance framework for large-scale tissue modeling
Berghoff, M.; Rosenbauer, J.; Hoffmann, F.; Schug, A.
2020. BMC bioinformatics, 21 (1), 436. doi:10.1186/s12859-020-03728-7

Massively Parallel Large-Scale Multi-Model Simulation of Tumour Development Including Treatments
Berghoff, M.; Rosenbauer, J.; Schug, A.
2020. NIC Symposium 2020 : [27-28 February 2020], 63–71, Forschungszentrum Jülich

Multiscale Tissue Modeling Reveals Impact of Cancer Treatment to Tumor Heterogeneity
Rosenbauer, J.; Berghoff, M.; Schug, A. H.
2020. Biophysical journal, 118 (3), 348a. doi:10.1016/j.bpj.2019.11.2006

NFDI4Ing - the National Research Data Infrastructure for Engineering Sciences
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

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism
Vandichel, M.; Laasonen, K.; Kondov, I.
2020. Topics in catalysis, 63, 833–845. doi:10.1007/s11244-020-01334-8

Emerging Tumor Development by Simulating Single-cell Events [submitted]
Rosenbauer, J.; Berghoff, M.; Schug, A.
2020. bioRxiv beta. doi:10.1101/2020.08.24.264150

Massively Parallel Stencil Strategies for Radiation Transport Moment Model Simulations
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

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9

Crystal-melt interface mobility in bcc Fe: Linking molecular dynamics to phase-field and phase-field crystal modeling
Guerdane, M.; Berghoff, M.
2018. Physical review / B, 97 (14), 144105. doi:10.1103/PhysRevB.97.144105

A non-noble Cr–Ni-based catalyst for the oxygen reduction reaction in alkaline polymer electrolyte fuel cells
Faubert, P.; Kondov, I.; Qazzazie, D.; Yurchenko, O.; Müller, C.
2018. MRS communications, 8 (01), 160–167. doi:10.1557/mrc.2018.13

Non-Collective Scalable Global Network Based on Local Communications
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

NAStJA – Ein Neuartiger Autonomer Stempelcodelöser für Jegliche Art von Algorithmen
Berghoff, M.
2018. SCC-News, (1), 25–27

Massively Parallel Stencil Code Solver with Autonomous Adaptive Block Distribution
Berghoff, M.; Kondov, I.; Hötzer, J.
2018. IEEE transactions on parallel and distributed systems, 29 (10), 2282–2296. doi:10.1109/TPDS.2018.2819672

Activity and electrochemical stability of a chromium modified nickel catalyst for oxygen reduction reaction
Kondov, I.; Faubert, P.; Müller, C.
2017. Electrochimica acta, 236, 260–272. doi:10.1016/j.electacta.2017.03.123