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20022026
most citedLearning Phrase Representations using RNN Encoder-Decoder for Statistical Machine Translation

3.5k citations

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Showing 2023 · physics.chem-phShow all

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physics.chem-ph2023★ 16 cited

Optimized Multifidelity Machine Learning for Quantum Chemistry

Vivin Vinod, Ulrich Kleinekathöfer, Peter Zaspel

Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case…

physics.chem-ph2023★ 26 cited

Multi-Fidelity Machine Learning for Excited State Energies of Molecules

Vivin Vinod, Sayan Maity, Peter Zaspel +1

The accurate but fast calculation of molecular excited states is still a very challenging topic. For many applications, detailed knowledge of the energy funnel in larger molecular…