Publications
2021
Herres-Pawlis, Sonja; Liermann, Johannes
Leitartikel: Den Datenschatz endlich heben Journal Article
In: Nachrichten aus der Chemie, vol. 69, no. 10, pp. 3, 2021.
@article{Herres-Pawlis2021,
title = {Leitartikel: Den Datenschatz endlich heben},
author = {Sonja Herres-Pawlis and Johannes Liermann},
url = {https://doi.org/10.1002/nadc.20214117508},
doi = {10.1002/nadc.20214117508},
year = {2021},
date = {2021-09-30},
urldate = {2021-09-30},
journal = {Nachrichten aus der Chemie},
volume = {69},
number = {10},
pages = {3},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Ortmeyer, Jochen; Schön, Florian; Herres-Pawlis, Sonja; Jung, Nicole; Bach, Felix; Liermann, Johannes; Neumann, Steffen; Popp, Christian; Razum, Matthias; Koepler, Oliver; Steinbeck, Christoph
NFDI4Chem – Fachkonsortium für die Chemie Journal Article
In: Bausteine Forschungsdatenmanagement, vol. 2, pp. 34-45, 2021.
@article{Ortmeyer2021,
title = {NFDI4Chem – Fachkonsortium für die Chemie},
author = {Jochen Ortmeyer and Florian Schön and Sonja Herres-Pawlis and Nicole Jung and Felix Bach and Johannes Liermann and Steffen Neumann and Christian Popp and Matthias Razum and Oliver Koepler and Christoph Steinbeck},
url = {https://doi.org/10.17192/bfdm.2021.2.8340},
doi = {10.17192/bfdm.2021.2.8340},
year = {2021},
date = {2021-07-28},
journal = {Bausteine Forschungsdatenmanagement},
volume = {2},
pages = {34-45},
abstract = {Als Fachkonsortium für die Chemie hat sich NFDI4Chem innerhalb der Nationalen Forschungsdateninfrastruktur (NFDI) gebildet. In diesem Beitrag stellt sich das Konsortium kurz vor und legt seine zentralen Ziele und wichtigsten Verbesserungen für das Forschungsdatenmanagement (FDM) in der Chemie sowie die praktischen Herausforderungen dar. Die Vision von NFDI4Chem ist die umfassende Digitalisierung und Vernetzung aller Prozesse im Umgang mit Forschungsdaten in der chemischen Forschung. Beginnend mit der Erzeugung der Daten, über deren Verarbeitung und Analyse bis hin zur Publikation wird eine modulare, vernetzte Infrastruktur aus Software-Tools, elektronischen Laborjournalen und Datenrepositorien entwickelt und bereitgestellt, die Forschende im Laboralltag unterstützt. Die Digitalisierung wird begleitet durch die Entwicklung von Minimalinformationen für Datenpublikationen, bestehend unter anderem aus Standards für Daten- und Metadatenformate sowie Ontologien zur semantischen Beschreibung. Seine Aufgaben verfolgt das NFDI4Chem-Konsortium wissenschaftsgeleitet und mit dem klaren Ziel, eine intuitiv und effizient nutzbare Infrastruktur zu entwickeln. Das Gestalten eines kulturellen Wandels, gemeinsam mit der wissenschaftlichen Community, zur Etablierung und Akzeptanz eines FAIRen Umgangs mit Daten ist daher ein weiteres wichtiges Element der NFDI4Chem-Aktivitäten.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Jung, Nicole; Neumann, Steffen; Koepler, Oliver; Bach, Felix; Popp, Christian; Herres-Pawlis, Sonja; Liermann, Johannes; Razum, Matthias; Steinbeck, Christoph
NFDI4Chem – Infrastruktur für den digitalen Wandel in der Chemischen Forschung Journal Article
In: Bunsen-Magazin, 2021.
@article{Jung2021,
title = {NFDI4Chem – Infrastruktur für den digitalen Wandel in der Chemischen Forschung},
author = {Nicole Jung and Steffen Neumann and Oliver Koepler and Felix Bach and Christian Popp and Sonja Herres-Pawlis and Johannes Liermann and Matthias Razum and Christoph Steinbeck},
url = {https://bunsen.de/bmo/nfdi4chem},
doi = {10.26125/r978-6f93},
year = {2021},
date = {2021-02-19},
journal = {Bunsen-Magazin},
abstract = {Die Vision der NFDI4Chem ist die Digitalisierung aller wichtigen Schritte in der chemischen Forschung, um Wissenschaftler bei der Erhebung, Speicherung, Verarbeitung, Analyse, Veröffentlichung und Wiederverwendung von Forschungsdaten bestmöglich zu unterstützen. NFDI4Chem will alle Disziplinen der Chemie in der Wissenschaft vertreten. In der Anfangsphase wird sich NFDI4Chem hauptsächlich auf Daten zu Molekülen und Reaktionen, einschließlich Daten für ihre experimentelle und theoretische Charakterisierung konzentrieren. Im Oktober 2020 hat die NFDI4Chem mit fünf inhaltlichen Arbeitsbereichen zu Digitalisierung und Forschungsdatenmanagement die aktive Projektarbeit aufgenommen. Die Arbeitsbereiche der ersten Projektphase und ihre Kernthemen sollen im Folgenden vorgestellt werden.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2020
Koepler, Oliver; Liermann, Johannes; Schön, Florian; Herres-Pawlis, Sonja
Forschungsdatenmanagement - Zeit für den Abschied vom analogen Laborbuch Journal Article
In: Nachrichten aus der Chemie, vol. 68, no. 12, pp. 20-23, 2020.
@article{Koepler2020,
title = {Forschungsdatenmanagement - Zeit für den Abschied vom analogen Laborbuch},
author = {Oliver Koepler and Johannes Liermann and Florian Schön and Sonja Herres-Pawlis},
url = {https://doi.org/10.1002/nadc.20204095910},
doi = {10.1002/nadc.20204095910},
year = {2020},
date = {2020-12-01},
journal = {Nachrichten aus der Chemie},
volume = {68},
number = {12},
pages = {20-23},
abstract = {Jeder Chemiker produziert Forschungsdaten, egal ob er Substanzen synthetisiert, Spektren aufnimmt oder sich mit der Theorie befasst. Die dabei entstandenen Daten muss jeder Forscher erfassen und dokumentieren, um von den Ergebnissen berichten und nachweisen zu können, dass sie reproduzierbar sind. Doch wie weit ist die chemische Community in der Digitalisierung dieser Forschungsdaten? Die erste Umfrage des Konsortiums NFDI4Chem gibt Antworten.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Herres-Pawlis, Sonja; Liermann, Johannes C.; Koepler, Oliver
Research Data in Chemistry ‐ Results of the first NFDI4Chem Community Survey Journal Article
In: Zeitschrift für anorganische und allgemeine Chemie, 2020.
@article{herres_pawlis_sonja_2020_3010,
title = {Research Data in Chemistry ‐ Results of the first NFDI4Chem Community Survey},
author = {Sonja Herres-Pawlis and Johannes C. Liermann and Oliver Koepler
},
doi = {10.1002/zaac.202000339},
year = {2020},
date = {2020-10-30},
journal = {Zeitschrift für anorganische und allgemeine Chemie},
abstract = {Good research data management (RDM) requires a constant endeavour of the researchers but ‐ first and foremost ‐ user‐friendly infrastructure and well accepted standards need to be developed for the researchers. The national research data infrastructure initiative for chemistry in Germany NFDI4Chem sets out to embrace the challenge of creating a general research data management portal and hereby connecting already existing infrastructure as well as to foster the cultural change in chemistry towards digitalisation by developing general minimum information standards for all methods used and teaching RDM principles to the community. In order to serve the needs of the chemical community at its best, NFDI4Chem accomplishes regular community surveys. The first survey has been performed in 2019 and the results were condensed into the NFDI4Chem proposal. This article summarizes the design of the study and its results. With regard to the project development, this first national survey serves as zero‐point of all upcoming efforts in research data management.},
keywords = {},
pubstate = {published},
tppubtype = {article}
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Steinbeck, Christoph; Koepler, Oliver; Bach, Felix; Herres-Pawlis, Sonja; Jung, Nicole; Liermann, Johannes C; Neumann, Steffen; Razum, Matthias; Baldauf, Carsten; Biedermann, Frank; Bocklitz, Thomas W; Boehm, Franziska; Broda, Frank; Czodrowski, Paul; Engel, Thomas; Hicks, Martin G; Kast, Stefan M; Kettner, Carsten; Koch, Wolfram; Lanza, Giacomo; Link, Andreas; Mata, Ricardo A; Nagel, Wolfgang E; Porzel, Andrea; Schlörer, Nils; Schulze, Tobias; Weinig, Hans-Georg; Wenzel, Wolfgang; Wessjohann, Ludger A; Wulle, Stefan
NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany Journal Article
In: RIO Journal, 2020.
@article{Steinbeck2020-qj,
title = {NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany},
author = {Christoph Steinbeck and Oliver Koepler and Felix Bach and Sonja Herres-Pawlis and Nicole Jung and Johannes C Liermann and Steffen Neumann and Matthias Razum and Carsten Baldauf and Frank Biedermann and Thomas W Bocklitz and Franziska Boehm and Frank Broda and Paul Czodrowski and Thomas Engel and Martin G Hicks and Stefan M Kast and Carsten Kettner and Wolfram Koch and Giacomo Lanza and Andreas Link and Ricardo A Mata and Wolfgang E Nagel and Andrea Porzel and Nils Schlörer and Tobias Schulze and Hans-Georg Weinig and Wolfgang Wenzel and Ludger A Wessjohann and Stefan Wulle},
doi = {10.3897/rio.6.e55852},
year = {2020},
date = {2020-06-26},
journal = {RIO Journal},
publisher = {Pensoft Publishers},
abstract = {The vision of NFDI4Chem is the digitalisation of all key steps
in chemical research to support scientists in their efforts to
collect, store, process, analyse, disclose and re-use research
data. Measures to promote Open Science and Research Data
Management (RDM) in agreement with the FAIR data principles are
fundamental aims of NFDI4Chem to serve the chemistry community
with a holistic concept for access to research data. To this
end, the overarching objective is the development and
maintenance of a national research data infrastructure for the
research domain of chemistry in Germany, and to enable
innovative and easy to use services and novel scientific
approaches based on re-use of research data. NFDI4Chem intends
to represent all disciplines of chemistry in academia. We aim to
collaborate closely with thematically related consortia. In the
initial phase, NFDI4Chem focuses on data related to molecules
and reactions including data for their experimental and
theoretical characterisation.This overarching goal is achieved
by working towards a number of key objectives:Key Objective 1:
Establish a virtual environment of federated repositories for
storing, disclosing, searching and re-using research data across
distributed data sources. Connect existing data repositories
and, based on a requirements analysis, establish domain-specific
research data repositories for the national research community,
and link them to international repositories.Key Objective 2:
Initiate international community processes to establish minimum
information (MI) standards for data and machine-readable
metadata as well as open data standards in key areas of
chemistry. Identify and recommend open data standards in key
areas of chemistry, in order to support the FAIR principles for
research data. Finally, develop standards, if there is a
lack.Key Objective 3: Foster cultural and digital change towards
Smart Laboratory Environments by promoting the use of digital
tools in all stages of research and promote subsequent Research
Data Management (RDM) at all levels of academia, beginning in
undergraduate studies curricula.Key Objective 4: Engage with the
chemistry community in Germany through a wide range of measures
to create awareness for and foster the adoption of FAIR data
management. Initiate processes to integrate RDM and data science
into curricula. Offer a wide range of training opportunities for
researchers.Key Objective 5: Explore synergies with other
consortia and promote cross-cutting development within the
NFDI.Key Objective 6: Provide a legally reliable framework of
policies and guidelines for FAIR and open RDM.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
in chemical research to support scientists in their efforts to
collect, store, process, analyse, disclose and re-use research
data. Measures to promote Open Science and Research Data
Management (RDM) in agreement with the FAIR data principles are
fundamental aims of NFDI4Chem to serve the chemistry community
with a holistic concept for access to research data. To this
end, the overarching objective is the development and
maintenance of a national research data infrastructure for the
research domain of chemistry in Germany, and to enable
innovative and easy to use services and novel scientific
approaches based on re-use of research data. NFDI4Chem intends
to represent all disciplines of chemistry in academia. We aim to
collaborate closely with thematically related consortia. In the
initial phase, NFDI4Chem focuses on data related to molecules
and reactions including data for their experimental and
theoretical characterisation.This overarching goal is achieved
by working towards a number of key objectives:Key Objective 1:
Establish a virtual environment of federated repositories for
storing, disclosing, searching and re-using research data across
distributed data sources. Connect existing data repositories
and, based on a requirements analysis, establish domain-specific
research data repositories for the national research community,
and link them to international repositories.Key Objective 2:
Initiate international community processes to establish minimum
information (MI) standards for data and machine-readable
metadata as well as open data standards in key areas of
chemistry. Identify and recommend open data standards in key
areas of chemistry, in order to support the FAIR principles for
research data. Finally, develop standards, if there is a
lack.Key Objective 3: Foster cultural and digital change towards
Smart Laboratory Environments by promoting the use of digital
tools in all stages of research and promote subsequent Research
Data Management (RDM) at all levels of academia, beginning in
undergraduate studies curricula.Key Objective 4: Engage with the
chemistry community in Germany through a wide range of measures
to create awareness for and foster the adoption of FAIR data
management. Initiate processes to integrate RDM and data science
into curricula. Offer a wide range of training opportunities for
researchers.Key Objective 5: Explore synergies with other
consortia and promote cross-cutting development within the
NFDI.Key Objective 6: Provide a legally reliable framework of
policies and guidelines for FAIR and open RDM.
Bierwirth, Maik; Glöckner, Frank Oliver; Grimm, Christian; Schimmler, Sonja; Boehm, Franziska; Busse, Christian; Degkwitz, Andreas; Koepler, Oliver; Neuroth, Heike
Leipzig-Berlin-Erklärung zu NFDI- Querschnittsthemen der Infrastrukturentwicklung Miscellaneous
2020.
@misc{maik_bierwirth_2020_3895209,
title = {Leipzig-Berlin-Erklärung zu NFDI- Querschnittsthemen der Infrastrukturentwicklung},
author = {Maik Bierwirth and Frank Oliver Glöckner and Christian Grimm and Sonja Schimmler and Franziska Boehm and Christian Busse and Andreas Degkwitz and Oliver Koepler and Heike Neuroth},
url = {https://doi.org/10.5281/zenodo.3895209},
doi = {10.5281/zenodo.3895209},
year = {2020},
date = {2020-01-01},
publisher = {Zenodo},
keywords = {},
pubstate = {published},
tppubtype = {misc}
}
2019
Glöckner, Frank Oliver; Diepenbroek, Michael; Felden, Janine; Overmann, Jörg; Bonn, Aletta; Gemeinholzer, Birgit; Güntsch, Anton; König-Ries, Birgitta; Seeger, Bernhard; Pollex-Krüger, Annette; Fluck, Juliane; Pigeot, Iris; Toralf, Kirsten; Mühlhaus, Timo; Wolf, Christof; Heinrich, Uwe; Steinbeck, Christoph; Koepler, Oliver; Stegle, Oliver; Weimann, Joachim; Schörner-Sadenius, Thomas; Gutt, Christian; Stahl, Florian; Wagemann, Kurt; Schrade, Torsten; Schmitt, Robert; Eberl, Chris; Gauterin, Frank; Schultz, Martin; Bernard, Lars
Berlin Declaration on NFDI Cross-Cutting Topics Miscellaneous
2019.
@misc{glockner_frank_oliver_2019_3457213,
title = {Berlin Declaration on NFDI Cross-Cutting Topics},
author = {Frank Oliver Glöckner and Michael Diepenbroek and Janine Felden and Jörg Overmann and Aletta Bonn and Birgit Gemeinholzer and Anton Güntsch and Birgitta König-Ries and Bernhard Seeger and Annette Pollex-Krüger and Juliane Fluck and Iris Pigeot and Kirsten Toralf and Timo Mühlhaus and Christof Wolf and Uwe Heinrich and Christoph Steinbeck and Oliver Koepler and Oliver Stegle and Joachim Weimann and Thomas Schörner-Sadenius and Christian Gutt and Florian Stahl and Kurt Wagemann and Torsten Schrade and Robert Schmitt and Chris Eberl and Frank Gauterin and Martin Schultz and Lars Bernard},
url = {https://doi.org/10.5281/zenodo.3457213},
doi = {10.5281/zenodo.3457213},
year = {2019},
date = {2019-09-22},
publisher = {Zenodo},
keywords = {},
pubstate = {published},
tppubtype = {misc}
}
Herres-Pawlis, Sonja; Koepler, Oliver; Steinbeck, Christoph
Chemistry Consortium NFDI4Chem - Poster 1st NFDI Conference Miscellaneous
2019.
@misc{herres_pawlis_sonja_2019_2875422,
title = {Chemistry Consortium NFDI4Chem - Poster 1st NFDI Conference},
author = {Sonja Herres-Pawlis and Oliver Koepler and Christoph Steinbeck},
url = {https://doi.org/10.5281/zenodo.2875422},
doi = {10.5281/zenodo.2875422},
year = {2019},
date = {2019-05-13},
publisher = {Zenodo},
abstract = {On this poster we present the chemistry consortium NFDI4Chem for the german national research infrastructure (NFDI). The NFDI4Chem is a grassroots movement of researchers, infrastructure experts and actors of learned societies from all disciplines of chemistry. The vision of NFDI4Chem is the application of digitisation principles to all key steps of research in chemistry. We have identified six key objectives for the development and maintenance of a national research data infrastructure for chemistry in germany, and to enable innovative services and science based on research data. Objectives range from initiating community processes for minimum information standards for data and machine-readable metadata, fostering the application of Electronic Lab Notebooks (ELN)s, software, tools and APIs of devices towards an embedded, digital information architecture in the lab, to increasing the awareness of research data management and FAIR data principles in the chemistry community. We describe our planned contribution to the overarching NFDI-structure and expected synergies with other consortia. First results of a user survey about the current application research data management are shown. The poster was presented on the 1st NFDI-Conference, 13-14th may 2019 in Bonn, germany.},
keywords = {},
pubstate = {published},
tppubtype = {misc}
}
Herres‐Pawlis, Sonja; Koepler, Oliver; Steinbeck, Christoph
NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry Journal Article
In: vol. 131, no. 32, pp. 10880–10882, 2019.
@article{HerresPawlis2019-df,
title = {NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry},
author = {Sonja Herres‐Pawlis and Oliver Koepler and Christoph Steinbeck},
year = {2019},
date = {2019-01-01},
volume = {131},
number = {32},
pages = {10880--10882},
abstract = {The formation of a National Research Data Infrastructure for Chemistry (NFDI4Chem), integrated into a National Research Data Infrastructure for all scientific disciplines, is a great opportunity for our discipline. Proper research data management is the basis for good scientific practice and opens up new fields of research},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2018
Koepler, Oliver; Jung, Nicole; Kraft, Angelina; Neumann, Janna
Thesenpapier Nationale Forschungsdateninfrastruktur für die Chemie (NFDI4Chem) Miscellaneous
2018.
@misc{koepler_oliver_2018_1404201,
title = {Thesenpapier Nationale Forschungsdateninfrastruktur für die Chemie (NFDI4Chem)},
author = {Oliver Koepler and Nicole Jung and Angelina Kraft and Janna Neumann},
url = {https://doi.org/10.5281/zenodo.1404201},
doi = {10.5281/zenodo.1404201},
year = {2018},
date = {2018-08-27},
publisher = {Zenodo},
abstract = {“Der stufenweise Aufbau einer Nationalen Forschungsdateninfrastruktur in Netzwerkform hat das Ziel, ein verlässliches und nachhaltiges Dienste-Portfolio zu schaffen, welches generische und fachspezifische Bedarfe des Forschungsdatenmanagements in Deutschland abdeckt.” Für das Fachgebiet Chemie ermöglicht eine solche nationale Forschungsdateninfrastruktur, öffentlich-finanzierte Forschungsdaten effizient zu erheben, standardisiert zu beschreiben, dauerhaft zu speichern und durch Persistent Identifier (PID) eindeutig referenzierbar und auffindbar zu machen. Sie unterstützt gemäß den Vorgaben des RfII die Reproduzierbarkeit und Nachnutzbarkeit der Daten zum Zwecke einer perpetuierten Wissensgenerierung. Mit der Reproduzierbarkeit von Forschungsergebnissen unterstützt eine solche Forschungsdateninfrastruktur den Peer Reviewing Prozess zur Förderung der wissenschaftlichen Selbstkontrolle und erhöht die Datenqualität, insbesondere in wissenschaftlichen Publikationen. Die NFDI4Chem ist ein gemeinschaftlicher Ansatz von Wissenschaftlern aus der Chemie, der Fachgesellschaft Gesellschaft Deutscher Chemiker und deren Fachgruppen, Einrichtungen aus der Forschungsförderung und Infrastruktureinrichtungen (Technische Informationsbibliothek). Eine Gruppe von Vertretern dieser Stakeholder hat sich Ende April 2018 zu einem Auftakttreffen “Fachgespräch NFDI4Chem” in Hannover getroffen. Dieses Papier fasst die Erkenntnisse des Fachgespräches zusammen. Weitere Stakeholder wie Verlage oder Datenbankanbieter sind im folgenden Diskurs willkommen.},
keywords = {},
pubstate = {published},
tppubtype = {misc}
}
Koepler, Oliver
Forschungsdaten besser managen Journal Article
In: Nachr. Chem., vol. 66, no. 11, pp. 1031–1031, 2018.
@article{Koepler2018-mb,
title = {Forschungsdaten besser managen},
author = {Oliver Koepler},
url = {https://doi.org/10.1002/nadc.20184081858},
doi = {10.1002/nadc.20184081858},
year = {2018},
date = {2018-01-01},
journal = {Nachr. Chem.},
volume = {66},
number = {11},
pages = {1031--1031},
keywords = {},
pubstate = {published},
tppubtype = {article}
}