Simulation and AI
in the Future of Science

Beilstein Bozen Symposium

May 17 — 19, 2022

Hotel Jagdschloss Niederwald
Rüdesheim, Germany


Scientific Commitee:

Tim Clark / University of Nürnberg-Erlangen

Lee Cronin / University of Glasgow, UK

Christian Kramer / Roche AG, Basel, Switzerland

Carsten Kettner / Beilstein-Institut


We are planning to hold this symposium as an in-person event. The health and well-being of all participants is imperative, thus we will carefully monitor the pandemic situation over the next months. We will keep you informed about all legal and hygiene requirements for a safe meeting.

Aspects covered by this conference

Chemistry and the chemical and biological sciences are at a crossroads in science as computing power and machine learning methods advance so that new insights and mechanisms can be gained by exploring data in new and hitherto unexpected ways. In particular, we have those ways in mind that include the use of artificial intelligence and machine learning approaches in research and investigations. Of course, these techniques require high demands on the quality of data stored in databases and repositories and it is essential to understand the potential bias under which this data was generated and processed.

The following questions are planned to be addressed:

/ can simulations replace experiments?

/ what is the contribution of predictions to innovative processes?

/ can AI and ML drive knowledge and innovation?

/ how can we resolve and control complexity?