2024-07-11 –, REPL (2, main stage)
“GreenSpeed” leverages Julia and the GenieFramework to calculate sustainability KPIs for the synthesis of complex organic chemicals. We cover the display of chemical reaction trees, their visualization in a Sankey Diagram and editable trees and tables to allow for the manual correction of incomplete or wrong datasets. We also show an admin panel for debugging, file modification and application of hotfixes.
We will showcase "GreenSpeed", an innovative industrial application developed using Julia and the GenieFramework. GreenSpeed enables Merck to calculate sustainability Key Performance Indicators (KPIs) for complex organic chemical synthesis, facilitating informed decision-making and driving positive environmental change.
Attendees will learn how GreenSpeed integrates electronic lab journals, allowing users to assess the environmental impact of different substances and their reactions. The application employs dynamic tree structures and visualization techniques, such as the Sankey Diagram, to illustrate the flow of materials during synthesis processes as well as the completeness of the underlying data.
By utilizing Julia's computational power, GreenSpeed performs complex calculations and generates insightful visualizations, empowering businesses to make informed decisions about synthesis routes and optimize resource utilization. The application also supports dynamic selection fields, editable trees, and editable tables to allow for the manual correction of incomplete or wrong datasets. GreenSpeed's admin panel will be highlighted, providing system administrators with debugging tools, file modification capabilities, and the ability to apply hotfixes to ensure smooth operation and continuous improvement. The talk will present real-world examples, showcasing how Merck has utilized GreenSpeed to assess sustainability, identify improvement areas, and enhance production practices.
In summary, the talk will offer attendees a comprehensive overview of GreenSpeed's capabilities in calculating sustainability KPIs for complex organic chemical synthesis. The application utilizes Julia and the GenieFramework to enable powerful and flexible web-based sustainability assessment, empowering businesses to make informed decisions, optimize resource utilization, and ensure a greener future.
Study of Physics
- Universität Konstanz / Université Joseph Fourier (Grenoble I)
- 1990 – 1996
PhD in Physical Chemistry / Universität Bayreuth
- Ludwig-Maximilians-Universität München
- 1996 – 2004
Positions in Merck KGaA, Darmstadt Germany
- Post Doc
- R&D Manager - Liquid Crystal Research
- Senior Expert Data Science
- 2006 – today
since 05/2024: Computational Chemist in Group Digital Innovation @Merck KGaA
2022 - 2024: PostDoc in Data Science/Sustainability @Merck Electronics KGaA
2018 - 2022: PhD in Computational Chemistry @Julius-Maximilians-Universität Würzburg, Germany