Publications

@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}
}

@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}
}

@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}
}

@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}
}

@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}
}