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Publications

Oliver Koepler 06/24/2020

2020

Herres-Pawlis, Sonja; Liermann, Johannes C; Koepler, Oliver

Research Data in Chemistry ‐ Results of the first NFDI4Chem Community Survey Journal Article

Zeitschrift für anorganische und allgemeine Chemie, 2020.

Abstract | Links | BibTeX

@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}
}

Close

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.

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  • doi:10.1002/zaac.202000339

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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

RIO Journal, 2020.

Abstract | Links | BibTeX

@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}
}

Close

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.

Close

  • doi:10.3897/rio.6.e55852

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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.

Links | BibTeX

@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}
}

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  • https://doi.org/10.5281/zenodo.3895209
  • doi:10.5281/zenodo.3895209

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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.

Links | BibTeX

@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}
}

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  • https://doi.org/10.5281/zenodo.3457213
  • doi:10.5281/zenodo.3457213

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Herres-Pawlis, Sonja; Koepler, Oliver; Steinbeck, Christoph

Chemistry Consortium NFDI4Chem - Poster 1st NFDI Conference Miscellaneous

2019.

Abstract | Links | BibTeX

@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}
}

Close

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.

Close

  • https://doi.org/10.5281/zenodo.2875422
  • doi:10.5281/zenodo.2875422

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Herres‐Pawlis, Sonja; Koepler, Oliver; Steinbeck, Christoph

NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry Journal Article

131 (32), pp. 10880–10882, 2019.

Abstract | BibTeX

@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}
}

Close

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

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2018

Koepler, Oliver; Jung, Nicole; Kraft, Angelina; Neumann, Janna

Thesenpapier Nationale Forschungsdateninfrastruktur für die Chemie (NFDI4Chem) Miscellaneous

2018.

Abstract | Links | BibTeX

@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}
}

Close

“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.

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  • https://doi.org/10.5281/zenodo.1404201
  • doi:10.5281/zenodo.1404201

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Koepler, Oliver

Forschungsdaten besser managen Journal Article

Nachr. Chem., 66 (11), pp. 1031–1031, 2018.

Links | BibTeX

@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}
}

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  • https://doi.org/10.1002/nadc.20184081858
  • doi:10.1002/nadc.20184081858

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