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The Journal of Physical Chemistry. A|September 22, 2023
Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical DynamicsĒriks Klētnieks, Yannick Calvino Alonso, Jiří J L VaníčekJournal of Chemical Theory and Computation|January 16, 2024
SPAHM(a,b): Encoding the Density Information from Guess Hamiltonian in Quantum Machine Learning RepresentationsKsenia R Briling, Yannick Calvino Alonso, Alberto Fabrizio, et al.Digital Discovery|May 11, 2026
Benchmarking physics-inspired machine learning models for transition metal complexes with diverse charge and spin statesYuri Cho, Ksenia R Briling, Yannick Calvino Alonso, et al.Digital Discovery|May 17, 2024
Benchmarking machine-readable vectors of chemical reactions on computed activation barriersPuck van Gerwen, Ksenia R Briling, Yannick Calvino Alonso, et al.Pageof 1