Join us online on 28th November from 10:00–11:00 for the second CORENET online webinar “Computational Chemical Networks“.

Prof. Christoph Flamm (Universitaet Wien), will give an insightful talk about chemical reservoir computing; followed by the CORENET young researchers Katja-Sophia Csizi (IBM Research) who will showcase the first-principles exploration of chemical reaction networks and Mehmet Aziz Yirik (University of Southern Denmark) who will present In-silico chemical reservoir computing.

Our guest speaker, Prof. Christoph Flamm, will talk about the benefits of rule-based approaches to model reactive chemical systems (both in deterministic and stochastic context). Based on examples Prof. Flamm will discuss concepts how to: (i) identify reaction motifs (e.g. autocatalysis) in reaction networks, (ii) exploit the notion of causality to discover reaction mechanisms from a dynamics, and finally (iii) derive reaction networks from measurements. In all this concepts the thermodynamic and kinetic parameterization of the reactive chemical system is necessary. This requires synergies between different levels of theory. As a rule of thumb, explore and discover on a low level of theory and corroborate findings on a high level of theory.