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Posts by Dirk Tomandl

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Today's #StandUpforScience2025 peaceful, passionate protest in Indianapolis at the Statehouse.
We have to fight for freedom and against the destruction of our society and democracy!
Tuck Frump!

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Multi-task learning for molecular electronic structure approaching coupled-cluster accuracy Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML models for molecular ele...

arxiv.org/abs/2405.12229

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