Computational approaches to the history of chemistry


Monday, March 22, 2021
14:00 - 14:20Welcome Address

Chairperson: Gerd Graßhoff

14:20 - 15:00Carsten Reinhardt (Bielefeld University, Germany)
The history of chemical instrumentation in the twentieth century. Development, Digitization, Sources
15:00 - 15:40Jürgen Jost (Max Planck Institute for Mathematics in the Sciences, Germany)
A formal setting for the evolution of chemical knowledge
15:40 - 15:55Break

Chairperson: Carsten Reinhardt

15:55 - 16:35Peter Stadler (Leipzig University, Germany)
Data structures and algorithms for the history of chemistry
16:35 - 17:15Jeffrey Johnson (Villanova University, USA)
Approaches to the quantitative/computational history of chemistry: an historian’s perspective
17:15 - 17:30Break
17:30 - 18:10Discussion: pros and cons computational approaches to history of chemistry
Tuesday, March 23, 2021

Chairperson: Jeffrey Johnson

14:00 - 14:40Gerd Graßhoff (Humboldt University of Berlin, Germany)
A reconstructed history of scientific discovery by computational means: Hans Krebs' discovery of the urea cycle
14:40 - 15:20Guillermo Restrepo (Max Planck Institute for Mathematics in the Sciences, Germany)
The chemical space and its historical expansion
15:20 - 15:35Break
15:35 - 16:15Evan Hepler-Smith (Duke University, USA)
Querying computational history from the history of chemical information

Chairperson: Peter Stadler

16:15 - 16:55Jonathan Goodman (University of Cambridge, United Kingdom)
RInChI - finding and labelling reactions
16:55 - 17:10Break
17:10 - 17:50Gerd Blanke (StructurePendium Technologies GmbH, Germany)
The Unified Data Model (UDM): enabling the exchange of comprehensive reaction information

Chairperson: Evan Hepler-Smith

17:50 - 18:30Discussion: data and data structures for computational history of chemistry
18:30 - 19:45Conclusion

Date and Location

March 22 - 23, 2021
Max Planck Institute for Mathematics in the Sciences
Virtual event - Videobroadcast

Scientific Organizers

Jürgen Jost
MPI for Mathematics in the Sciences

Guillermo Restrepo
MPI for Mathematics in the Sciences

Administrative Contact

Antje Vandenberg
MPI for Mathematics in the Sciences
Contact by Email
26.03.2021, 01:28