Computational Chemistry

Van 't Hoff Institute for Molecular Sciences University of Amsterdam

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Alexander’s stoichiometry-based ML for discovery of salt hydrates published in Communications Materials

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  • Alexander’s stoichiometry-based ML for discovery of salt hydrates published in Communications Materials
  • Alberto Pérez de Alba Ortíz
  • June 5, 2026
  • Just Published

Alexander’s paper, Stoichiometry-based machine learning enables discovery of new salt hydration reactions for thermochemical heat storage, has been published in Communications Materials.

Read more about his work here.

Congrats, Alexander!

Photo credit: Marina Zasorina, Pexels

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Eline’s Bayesian Umbrella Quadrature in the cover of JCTC and presented at GRC

August 18, 2026

Ioana awarded first ever NextGenChem award

July 2, 2026

Alexander’s stoichiometry-based ML for discovery of salt hydrates published in Communications Materials

June 5, 2026

Stefano Polla appointed assistant professor in quantum computing for chemistry

May 19, 2026

Jacco’s neural free-energy functional work published in PRL

March 3, 2025

Jacobus and Maxim present at NWO Physics

January 28, 2025

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    Van ‘t Hoff Insitute for Molecular Sciences
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