Casale-Mini Symposium #3, November 24, 2021 - online event
«Accelarating discoveries through computational chemistry and modelling»
Theoretical and computational modelling is a tool that nowadays is fundamental to accelerating discoveries. Modelling can significantly help to bridge the results of fundamental research to actual concepts and process developments by significantly reducing timescales. Computational chemistry, machine learning and molecular modelling approaches developed over the years have been an invaluable tool to provide fast answers in fields where the experimental measurements are difficult, time consuming and costly, especially for Industries. The new computational tools available to industries and universities provide new deep insight into chemical processes, new chemical synthesis routes and molecules.
With this mini symposium Casale wants to highlight some of the research conducted in Swiss Universities in the field of computational chemistry, machine learning and molecular modelling. The mini symposium is in concomitance with the 100 Years of CASALE SA.
Welcome and introduction
Casale introduction and highlight on the Industrial challenges in research using new modelling tools
Dr. Teodoro Laino, IBM Research Zurich
«Are Language Models better than Physical based Models for Chemistry (an more)?»
«Simulating Catalytic Materials for Sustainable Chemistry - from Energy Conversion to Supramolecular Catalysis»