News
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 …
CCC Group Retreat
On October 5-6, the CCC group travelled to Pfalz to recuperate and brainstorm. After visiting the historic Cochem castle and admiring …
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 …
New representation for chemical machine learning
Stiv‘s quantum-inspired representation for chemical machine learning entitled matrix of orthogonalised atomic orbital coefficients (MAOC) is published in the Special …
Registration now open: SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling”
The first SIMPLAIX Workshop on “Machine Learning for Multiscale Molecular Modeling” will take place in the Studio Villa Bosch in Heidelberg …
“The magic triangle” advances molecular research with machine learning and simulations
The “SIMPLAIX” collaboration started with an inaugural symposium in Heidelberg. Researchers from HITS, Heidelberg University, and Karlsruhe Institute of Technology (…
Computer simulations and Artificial Intelligence – a “booster” for molecular research
In the new “SIMPLAIX” collaboration, researchers from HITS, Heidelberg University, and Karlsruhe Institute of Technology (KIT) are addressing challenges in the …
ERC Starting Grant for HITS group leader
Ganna Gryn’ova, head of the Computational Carbon Chemistry group at the Heidelberg Institute for Theoretical Studies, has been awarded approximately €1.5 …
HITS researcher is Schiemann Fellow of the Max Planck Society
Ganna (Anya) Gryn’ova, head of the Computational Carbon Chemistry (CCC) group at HITS, has been elected as Schiemann Fellow of …
Chemists amid coronavirus
Anya Gryn’ova discusses with Chemistry World how the global pandemic affected work and wellbeing of her research group. See the …
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