Computational Chemistry

Van 't Hoff Institute for Molecular Sciences University of Amsterdam

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

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  • Eline’s Bayesian Umbrella Quadrature in the cover of JCTC and presented at GRC
  • Alberto Pérez de Alba Ortíz
  • August 18, 2026
  • Just Published

Eline’s paper, Bayesian Umbrella Quadrature Automates Free-Energy Calculations Across Diverse Molecular Systems and Processes, has been featured in the cover of JCTC.

She also recently presented her work at the Gordon Research Conference on Computational Chemistry in Barcelona.

Read more about her work here.

Congrats, Eline!

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Ioana awarded first ever NextGenChem award

News

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
    University of Amsterdam
    Postbus 94157
    1090 GD Amsterdam

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    • Dr. ir. I.M. (Ioana) Ilie
    • Prof. dr. P.G. (Peter) Bolhuis
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