Computational Chemistry

Van 't Hoff Institute for Molecular Sciences University of Amsterdam

  • People
    • Dr. A. (Alberto) Pérez de Alba Ortíz
    • Dr. ir. B. (Bernd) Ensing
    • Dr. D. (David) Dubbeldam
    • Prof. dr. E.J. (Evert Jan) Meijer
    • Dr. ir. I.M. (Ioana) Ilie
    • Dr. J. (Jocelyne) Vreede
    • Prof. dr. P.G. (Peter) Bolhuis
    • Prof. dr. P. D. (Pieter) Iedema
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    • Biomolecular Systems
    • Chemical Reactivity, Catalysis, and Molecular Modeling
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    • Molecular Visualization
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    • Soft matter
  • Software
    • Auto-martini
    • Finding Collective Variables with FABULOUS
    • OpenPathSampling
    • Path-metadynamics with Plumed 2.5
    • pKa calculation with a proton transfer collective variable
    • Trace IRC
    • iRASPA
    • RASPA
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2 PhD vacancies Computational Chemistry and AI

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  • Uncategorized
  • 2 PhD vacancies Computational Chemistry and AI
  • Peter Bolhuis
  • November 16, 2022
  • Uncategorized

In collaboration with Microsoft Research Amsterdam we are actively looking for a PhD candidates for projects on the crossroads between Computational Chemistry and AI.

Full posting on the ACMM website

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Vacancy for a postdoc in biomolecular simulation
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Alberto Pérez de Alba Ortíz appointed as assistant professor

News

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

March 3, 2025

Jacobus and Maxim present at NWO Physics

January 28, 2025

Massimiliano’s paper on the cover of JCP

January 14, 2025

NWO XL funding for Jocelyne Vreede to develop light-controlled molecular machines

January 13, 2025

ChemAI poster prize for Eline

November 29, 2024

Massimiliano and Alexander present at HRSMC Lustrum symposium

November 15, 2024

Contact Us

  • Visiting Address
    Science Park 904
    1098 XH Amsterdam
  • Postal Address
    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
    • Dr. D. (David) Dubbeldam
    • Dr. ir. B. (Bernd) Ensing
    • Prof. dr. P. D. (Pieter) Iedema
    • Prof. dr. E.J. (Evert Jan) Meijer
    • Dr. J. (Jocelyne) Vreede
    • Current Group Members
    • Visitors
    • Alumni
    • Vacancies
  • Software
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  • Student Projects
  • News
  • Agenda
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