26 citations · 52 across the 9 of their papers we have counts for
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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…