News SIMPLAIX
Special issue: Exploring the chemical compound space with cutting-edge research tools
Targeted and efficient exploration of the vast chemical space in search of new and improved molecules and materials with artificial intelligence …
2nd SIMPLAIX Workshop: Thanks to all participants!
A big thank you to all the speakers and participants for making the 2nd SIMPLAIX Workshop on “Machine Learning for Multiscale …
Do we really understand catalysis? Michele Parrinello at the HITS-SIMPLAIX Colloquium
On 22 April 2024, Michele Parrinnello from the Italian Institute of Technology, Genova (Italy) gave a joint HITS-SIMPLAIX Colloquium on the recent developments …
ERC Advanced Grant for SIMPLAIX-PI Andreas Dreuw
SIMPLAIX-PI Andreas Dreuw (Heidelberg University) received an ERC Advanced Grant for his project “High-Performance Computational Photochemistry and Spectroscopy” (HIPERCOPS). It deals …
On Machine Learning and disordered materials: Volker Deringer at the HITS-SIMPLAIX Colloquium
On 23 October 2023, Volker Deringer from University of Oxford gave a joint HITS-SIMPLAIX Colloquium on machine-learning-driven advances in modeling and understanding disordered …
New SIMPLAIX PI: Jan Stühmer
Computer scientist Jan Stühmer, group leader at HITS and Junior professor at the Karlsruhe Institute of Technology (KIT), has been …
Registration now open: 2nd SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”
The 2nd SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” will take place in the Studio Villa Bosch in Heidelberg …
On Chemistry and Machine Learning: Fernanda Duarte at the HITS-SIMPLAIX Colloquium
On 28 September 2023, Fernanda Duarte from University of Oxford gave a joint HITS-SIMPLAIX Colloquium on exploring chemical reactivity in the age of …
New SIMPLAIX PI: Tristan Bereau
Computational physicist Tristan Bereau, professor at the Institute for Theoretical Physics, Heidelberg University, has been appointed new Principal Investigator in the …
Anya’s author profile in Helvetica Chimica Acta
Read Anya’s thoughts on the challenges and future of computational chemistry, find out why she became a computational chemist, and …
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