The Digital Chemistry Lab of Tomorrow
The Center for the Transformation of Chemistry (CTC) is steadily advancing the development of its research infrastructure. Alongside the establishment of chemistry laboratories at the CTC’s locations, the focus is also on an integrated digital infrastructure. At the heart of this effort is the end-to-end digitization of laboratory processes—from planning and documentation through data management to chemical inventory. To this end, the CTC relies on the open-source solution Chemotion, an electronic lab notebook (ELN) with integrated functions of a Laboratory Information Management System (LIMS), which was developed as part of the NFDI4Chem initiative of the German Research Foundation (DFG) and is increasingly being used internationally as well.
Modern Research Requires End-to-end Digital Processes
In many chemistry labs, analog processes or fragmented digital solutions are still widespread. Often, parts of daily lab work are digitized, while others continue to be documented in physical notebooks or isolated systems.
The CTC takes a different approach: laboratories are designed to be fully digital from the very beginning. “If we want to transform chemistry in a sustainable way, we must also change the way we organize and document research. Digital and integrated infrastructures are a key prerequisite for this—and at the same time an opportunity to make scientific standards internationally compatible,” says Prof. Dr. Dr. h.c. Peter Seeberger, Scientific Director of the CTC. The goal is to integrate data flows, make processes more efficient, and at the same time increase the transparency and traceability of scientific work.
In this way, the CTC makes an important contribution to the implementation and further development of modern research standards—particularly in the context of open science, data integrity, and reproducible research—while also laying the foundation for more advanced approaches in the future, ranging from automated and semi-autonomous laboratory processes to concepts of an “autonomous laboratory.”
Open Source as a Strategic Decision
After a comprehensive evaluation of commercial providers, the CTC made a conscious decision to adopt the open-source solution Chemotion. The software is primarily developed at the Karlsruhe Institute of Technology (KIT) and is continuously refined as part of NFDI4Chem.
“For us, it is crucial that our digital infrastructure can be flexibly adapted to the requirements of modern research while remaining compatible with existing systems. Open-source solutions like Chemotion offer precisely this openness and enable us to further develop functionalities together with the community,” says Dr. Lenz Fiedler, Head of Data Engineering and Computing at the CTC.
The CTC has been actively involved in this development process since 2024 and plans to further expand its participation. The goal is to work with the community to incorporate practical requirements from everyday research and thus contribute to the continuous development of the system.
A particular focus is on the further development of functions related to chemical management and laboratory processes, especially with regard to integrated workflows, regulatory requirements, and interfaces to procurement and administrative systems.
A Pioneering Role in Integrated Research Infrastructures
With its approach, the CTC is playing a pioneering role in the development of integrated digital research infrastructures in chemistry. The focus is not only on introducing individual tools, but also on developing a networked, comprehensive system that brings together research, data management, and laboratory processes from the very beginning. The CTC has already participated in a project to expand Chemotion and is currently testing its practical application. The experience gained from this will be incorporated into the further expansion of the solution and, in the long term, is expected to provide broader impetus for the scientific community. The use of Chemotion by international partners such as the SCCB research project at Nanyang Technological University (NTU) in Singapore underscores the growing international visibility of the infrastructure developed in Germany.
At the same time, the digital infrastructure is a central component of the CTC’s approach to shaping innovation along the triad of science, transfer, and education: It enables more efficient and reproducible research, creates new conditions for the transfer of scientific knowledge, and trains researchers in the use of open, digital standards.
About Chemotion and NFDI4Chem
Chemotion is an open-source electronic laboratory management system (ELN/LIMS) being developed as part of the National Research Data Infrastructure for Chemistry (NFDI4Chem). Its goal is to make chemical research data available in a standardized, sustainable, and open manner. More information: https://chemotion.net; https://nfdi4chem.de
About the CTC
Rethinking chemistry – the Center for the Transformation of Chemistry (CTC) is Germany’s first research centre dedicated to circular chemistry. Its mission is to drive the transformation of the chemical industry toward a more sustainable future. Established in 2025, the CTC is projected to grow up to 1,000 employees by 2038.
The team will collaborate on two visionary moonshots for chemistry: the autonomous laboratory and the completely recyclable car. With facilities in Delitzsch (Saxony) and Merseburg (Saxony-Anhalt), the CTC will contribute to the structural transformation of Central Germany. The shareholders of the CTC are the Federal Republic of Germany, the Free State of Saxony, and the State of Saxony-Anhalt.
Photo 1: Digital lab processes under development: A CTC employee works with Chemotion in one of the lab environments currently being set up. © Dana Marschner
Photo 2: Chemotion in action: Digital lab infrastructure is integrated at the CTC from the very beginning. © Dana Marschner
