Computational approaches to the history of chemistry
Program
| Monday, March 22, 2021 | ||
|---|---|---|
| 14:00 - 14:20 | Welcome Address | |
Chairperson: Gerd Graßhoff | ||
| 14:20 - 15:00 | Carsten Reinhardt (Bielefeld University, Germany) The history of chemical instrumentation in the twentieth century. Development, Digitization, Sources | |
| 15:00 - 15:40 | Jürgen Jost (Max Planck Institute for Mathematics in the Sciences, Germany) A formal setting for the evolution of chemical knowledge | |
| 15:40 - 15:55 | Break | |
Chairperson: Carsten Reinhardt | ||
| 15:55 - 16:35 | Peter Stadler (Leipzig University, Germany) Data structures and algorithms for the history of chemistry | |
| 16:35 - 17:15 | Jeffrey Johnson (Villanova University, USA) Approaches to the quantitative/computational history of chemistry: an historian’s perspective | |
| 17:15 - 17:30 | Break | |
| 17:30 - 18:10 | Discussion: pros and cons computational approaches to history of chemistry | |
| Tuesday, March 23, 2021 | ||
Chairperson: Jeffrey Johnson | ||
| 14:00 - 14:40 | Gerd Graßhoff (Humboldt University of Berlin, Germany) A reconstructed history of scientific discovery by computational means: Hans Krebs' discovery of the urea cycle | |
| 14:40 - 15:20 | Guillermo Restrepo (Max Planck Institute for Mathematics in the Sciences, Germany) The chemical space and its historical expansion | |
| 15:20 - 15:35 | Break | |
| 15:35 - 16:15 | Evan Hepler-Smith (Duke University, USA) Querying computational history from the history of chemical information | |
Chairperson: Peter Stadler | ||
| 16:15 - 16:55 | Jonathan Goodman (University of Cambridge, United Kingdom) RInChI - finding and labelling reactions | |
| 16:55 - 17:10 | Break | |
| 17:10 - 17:50 | Gerd Blanke (StructurePendium Technologies GmbH, Germany) The Unified Data Model (UDM): enabling the exchange of comprehensive reaction information | |
Chairperson: Evan Hepler-Smith | ||
| 17:50 - 18:30 | Discussion: data and data structures for computational history of chemistry | |
| 18:30 - 19:45 | Conclusion | |
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 VandenbergMPI for Mathematics in the Sciences
Contact by Email