Publication list


2024
Model driven data space exploration: Interoperable infrastructure for experimental and computational data
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
The EM Glossary: a community effort towards a harmonized terminology in electron microscopy
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
Framework for Curation and Distribution of Reference Datasets on the Example of Creep Data of Ni-Base Superalloys
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
Common Service Architecture for NFDI-MatWerk: Technical & Infrastructure Components Built for the MSE Community
Hunke, S.; Shakeel, Y.; Moghaddam, A.; Stotzka, R.
2024, September 26. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Materials Data Infrastructure and Ontology Development for Exemplary Reference Dataset
Gedsun, A.; Shakeel, Y.
2024, September 24. Materials Science and Engineering Congress (MSE 2024), Darmstadt, Germany, September 24–26, 2024
Metadata schema and mapping service for FIB/SEM serial-sectioning and computed tomography
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
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, Germany, September 24–26, 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, Germany, September 10–12, 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, Germany, September 10–12, 2024
mapping-service
Inckmann, M.; Jejkal, T.; Hartmann, V.; Pfeil, A.
2024, August 27. doi:10.5281/zenodo.13378984
IUC04: Towards semi automated construction of Defect Phase Diagrams
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
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, July 3. Helmholtz Metadata Collaboration Summer Meeting (HMC 2024), Kiel, Germany, July 2–5, 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, June 19. Zenodo. doi:10.5281/zenodo.12168771
A Lightweight Introduction to FAIR Digital Objects
Blumenröhr, N.
2024, June 14. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Research data usecase: Scanning Electron Microscopy
Aversa, R.
2024, June 13. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
How to describe data: Metadata Schemas
Aversa, R.
2024, June 13. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Introduction to FAIR Principles
Aversa, R.
2024, June 12. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
NEP Summer School on Data Management and Virtual Access: basics and motivations
Aversa, R.
2024, June 12. NEP Summer School on Data Management and Virtual Access (2024), Heraklion, Greece, June 12–14, 2024
Simulation and Data Life Cycle Labs at SCC
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
The EM Glossary: a community effort towards harmonized terminology in electron microscopy
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
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, April 2–5, 2024
Building the MDMC-NEP Glossary
Aversa, R.
2024, February 23. SIG Metadata and Ontologies Meeting (2024), Online, February 23, 2024
Metadata Management in Scientific Research: an overview
Aversa, R.
2024, February 22. 1st iENTRANCE@ENL Advanced School (2024), Rome, Italy, February 20–22, 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, February 15. TS4NFDI (2024), Online, February 15, 2024. doi:10.5445/IR/1000168463
Mapping Service
Jejkal, T.; Inckmann, M.; Hartmann, V.; Aversa, R.; Vitali, E. G. G.
2024, February 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, January 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
2023
Successful stories in NFFA-Europe Pilot and beyond
Aversa, R.
2023, November 29. iEntrance FAIR Data Day (2023), Bologna, Italy, November 29, 2023
Handling and Storing Metadata
Aversa, R.
2023, November 28. KNMFi User Meeting (2023), Ettlingen, Germany, November 28–29, 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, October 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, October 10–12, 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, October 10. Helmholtz Metadata Collaboration Konferenz 2023 (HMC 2023), Online, October 10–12, 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, Germany, September 26, 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, Germany, September 12–14, 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, Germany, September 12–14, 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, June 29. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Linking Research Data
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
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, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 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, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 2023
Data Collections Explorer – An Information System for the Engineering Sciences
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
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, June 27. 1st NFDI-MatWerk Conference on Digital Transformation in Materials Science and Engineering (2023), Siegburg, Germany, June 27–29, 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, April 26, 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, Germany, April 12–14, 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, March 9. All-Hands-on-Deck congress from the NFDI-MatWerk (2023), Siegburg, Germany, March 8–9, 2023
Metadata Extraction Tool and Schema Mapper for Scanning Electron Microscopy (SEM) images
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
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, 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
The Scheme for a Metadata Schema - Unlocking the Power of Schemas
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
Proposed MDI – Architecture Concept Draft
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
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, February 27. MaRDA Annual Meeting (2023), Online, February 21–23, 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
2022
NFDI4Ing Data Collections Explorer
Ost, P.
2022, October 7
Using Schema-based Metadata for Image Labels accessed with FAIR Digital Objects
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
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, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 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, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 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, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
Data Collections Explorer
Ost, P.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 2022
NFDI-MatWerk - Reference Datasets
Shakeel, Y.; Soysal, M.; Vitali, E.; Ost, P.
2022, October 5. Helmholtz Metadata Collaboration | Conference 2022 (2022), Online, October 5–6, 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, June 20. 19th International Data Week : A Festival of Data / Plenary meeting (RDA 2022), Seoul, South Korea, June 20–23, 2022
Structures of Small Platinum Cluster Anions Pt: 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, June 2. Helmholtz Artificial Intelligence Conference (Helmholtz AI 2022), Dresden, Germany, June 2–3, 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
2021
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, October 27–November 11, 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
2020
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
2019
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
2018
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