Registration now open: SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”

23. January 2023

The first SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” will take place in the Studio Villa Bosch in Heidelberg on 2-4 May 2023.

We have a great line-up of confirmed invited speakers. Please register to participate and to submit abstracts for contributed talks and posters by 15 March 2023 at

We look forward to seeing you at the SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”.

The Organizing Committee: Rebecca Wade (HITS), Andreas Dreuw (IWR, Heidelberg University), Frauke Gräter (HITS), Fred Hamprecht (IWR, Heidelberg University), Ganna (Anya) Gryn’ova (HITS), Marcus Elstner (KIT), Pascal Friederich (KIT), Ullrich Köthe (IWR, Heidelberg University).

SIMPLAIX is a cooperation between the Heidelberg Institute for Theoretical Studies (HITS), the Karlsruhe Institute of Technology (KIT) and Heidelberg University, focused on bridging scales from molecules to molecular materials by multiscale simulation and machine learning ( The aim of the workshop is to bring together scientists working in the field to share their research and discuss current challenges.

About HITS

HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.

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