CCSC2024

Chemical Compound Space Conference (CCSC2024), May 21-24, 2024, Heidelberg, Germany

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And another big thank you to our talented and patient photographer @johnnywooibr !

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A busy and inspiring week of #chemical #compound space exploration is over! Big thanks to co-organisers, student helpers, speakers, poster presenters, participants, sponsors... and see you in 2 years!

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Enrico Tapavicza is introducing us to photoinduced molecular nano-motors through machine-learning approaches #CCS2024

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For the last talk before lunch break we have the chance to listen to Christoph Bannwarth @BannwarthTC from the Aachen university with a speech on molecular identifier #CCSC2024

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Professor Sergei Manzhos from the Tokyo institute of Technology is currently taking the stage to present IS work on reliable Machine-learning form in high dimension with Kernel databases #CCSC2024

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This morning coffee break ends and it is now to professor Julia Westermayr from Leipzig university to present her talk on Chemical discovery by machine-learning #CCSC2024

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The presentations are still going thanks to professor Pavlo Dral @PavloDral from the Xianey university with some AI simulation in chemical compound space #CCSC2024

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Let's begin the last day of the 2024 Chemical Compound Space Conference with a stance of professor Steven A. Lopez @StevenLopez_neu from the Northeastern University on Machine-learning-accelerated photodynamics simulations #CCSC2024

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We are now closing today's presentation with professor François-Xavier Coudert @fxcoudert work on data-based methods to discover novel materials and understand better the old ones #CCSC2024

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Professor Milica Todorović from the Turku University in Finland resumes the présentations set with an active learning for data-efficient optimisation of functional materials #CCSC2024

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Professor Jacqueline M. Cole of Cambridge University kept the crowd on its toes before a coffee break with a presentation on auto-generated databases. #CCSC2024

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Professor Michele Ceriotti @MicheleCeriotti from the EPFL is now opening today's presentation set with a stance on uncerty quantification for trustworthy exploration of chemical space #CCSC2024

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The poster session is in full swin, don't forget to vote for your 3 favourite posters with the QR code disposed on the tables

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The last presentation of today is hosted professor Stefan Vuckovic @stefan_theochem from the university of Fribourg with a stance on transferability in machine-learned density functionals #CCSC2024

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Professor Thijs Stuyer @thijsstuyver from Chimie Paris-Tech is now taking the stage to support a workflow on hybrid computational for reaction screening discovery #CCSC2024

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Professor Phillip Seeber from the Jena university is serving the new SPICY functional framework for multilayer fragment methods #CCSC2024

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Professor Renana Gershoni-Porane @Aromaticist from the Israël Institute of Technology begins today last presentation session with the shiniest data science speech #CCSC2024

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Before a small break, professor Lukas Hörmann @LHphysics from the university of Warwick introduces us to atomic scale insights into frictional energy dissipation mechanisms #CCSC2024

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It is now to professor John Keith from the university of Pittsburg to shed light on new paradigsm for atomic scale reaction mechansim on the stage of the 2024 CCS conference #CCSC2024

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Professor Klaus Robert Müller from the technical university of Berlin is now presenting how XAI can meet chemistry #CCSC2024