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
    • Current Group Members
    • Visitors
    • Alumni
    • Vacancies
  • Research
    • Publications
    • Biomolecular Systems
    • Chemical Reactivity, Catalysis, and Molecular Modeling
    • Computational Methods and Machine Learning
    • Computational Polymer Chemistry and Science for Arts
    • Molecular Visualization
    • Nanoporous Materials and Soft Matter
    • 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
  • Teaching
    • All Courses
    • Molsim School
  • Student Projects
  • News
  • Agenda
  • Contact

Staff Members

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  • Staff Members

Dr. A. (Alberto) Pérez de Alba Ortíz

a.perezdealbaortiz@uva.nl | 0205258256

Dr. ir. B. (Bernd) Ensing

B.Ensing@uva.nl | 0205255067

Dr. D. (David) Dubbeldam

D.Dubbeldam@uva.nl | 0205255054

Prof. dr. E.J. (Evert Jan) Meijer

E.J.Meijer@uva.nl | 0205256448

Ioana-ilie

Dr. I. (Ioana) M. Ilie

i.m.ilie@uva.nl | 020 525 2967

Jocelyne Vreede

Dr. J. (Jocelyne) Vreede

J.Vreede@uva.nl | 0205256489

Prof. dr. P.G. (Peter) Bolhuis

P.G.Bolhuis@uva.nl | 0205256447

Prof. dr. P. (Piet) Iedema

p.d.iedema@uva.nl | 0205256484

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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  • Members
    • 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
  • Teaching
  • Student Projects
  • News
  • Agenda
  • Contact
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