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2nd SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling

Start

End

Category

Workshop

Venue

Studio Villa Bosch Heidelberg, Schloss-Wolfsbrunnenweg 33, 69118 Heidelberg

More Information

https://www.simplaix.org

Social

Description

SIMPLAIX is a cooperation between the Heidelberg Institute for Theoretical Studies (HITS), the Karlsruhe Institute of Technology (KIT) and Heidelberg University, focussed on bridging scales from (bio)molecules to molecular materials by multiscale simulation and machine learning (www.simplaix.org). RTG 2450 is a DFG-funded research graduate school at KIT on “Tailored Scale-Bridging Approaches to Computational Nanoscience” (https://www.compnano.kit.edu/index.php).

The Second SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” is jointly organized by SIMPLAIX and the RTG 2450.

The first SIMPLAIX workshop took place in May 2023 (https://simplaix-workshop2023.h-its.org). Similarly, the aim of this second workshop is to bring together scientists working in this vibrant field to share their research and discuss current challenges in an informal atmosphere.

Confirmed speakers:

Roberto Covino, Frankfurt Institute for Advanced Studies, Germany
Lorenzo Cupellini, Department of Chemistry, University of Pisa, Italy
Matteo Degiacomi, Department of Physics, Durham University, UK
Boris Kozinsky, Harvard School of Engineering and Applied Sciences, USA
Felice C. Lightstone, Lawrence Livermore National Laboratory, Livermore, USA
Johannes Margraf, University of Bayreuth, Germany
Edina Rosta, Department of Physics and Astronomy, University College London, UK
Grant M. Rotskoff, Department of Chemistry, Stanford University, USA
Alessandro Troisi, Department of Chemistry, University of Liverpool, UK
Mark E. Tuckerman, Department of Physics, New York University, USA
Andrea Volkamer, Saarland University, Saarbruecken, Germany
Geemi Wellawatte, École Polytechnique Fédérale de Lausanne, Switzerland
Julia Westermayr, Wilhelm-Ostwald-Institute, University of Leipzig, Germany

Registration

Registration is closed because we have reached the maximum number of participants.

Registration fees.

Accommodation

Useful sites for finding accommodation in Heidelberg:

Travel

Travel to Studio Villa Bosch
(The workshop venue Studio Villa Bosch is right next door to HITS).

Note that the SIMPLAIX workshop will take place in the week before the CCSC 2024 Chemical Compound Space Conference in Heidelberg from 21-24 May 2024.

Agenda

Roberto Covino

Frankfurt Institute for Advanced Studies, Germany

Details

Lorenzo Cupellini

Department of Chemistry, University of Pisa, Italy

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Matteo Degiacomi

Department of Physics, Durham University, UK

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Boris Kozinsky

Harvard School of Engineering and Applied Sciences, Harvard University, USA

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Felice C. Lightstone

Lawrence Livermore National Laboratory, Livermore, USA

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Johannes Margraf

Faculty of Biology, Chemistry & Earth Sciences, University of Bayreuth, Germany

Details

Edina Rosta

Department of Physics and Astronomy, University College London, UK

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Grant M. Rotskoff

Department of Chemistry, Stanford University, USA

Details

Alessandro Troisi

Department of Chemistry, Liverpool University, UK

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Mark E. Tuckerman

Department of Physics, Courant Institute of Mathematical Sciences, New York University, USA

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Andrea Volkamer

Data Driven Drug Design, Saarland University, Saarbruecken, Germany

Details

Geemi Wellawatte

École Polytechnique Fédérale de Lausanne (EPFL), Switzerland

Details

Julia Westermayr

Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry, University of Leipzig, Germany

Details

Scientific Organizing Committee

Prof. Marcus Elstner

KIT

T.T.-Prof. Pascal Friederich

KIT

Prof. Rebecca Wade

HITS

Rostislav Fedorov

HITS

David Hoffmann

KIT

Daniel Sucerquia

HITS

Local Organizing Committee

Organizers

Sponsors