CCSC2024

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

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!

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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