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. (Pieter) Iedema
    • Current Group Members
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  • Research
    • Publications
    • Biomolecular simulations
    • Chemical reactions in complex environments
    • Computational Methods
    • Computational Polymer Chemistry and Science for Arts
    • Molecular Visualization
    • Nanoporous Materials
    • 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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PhD in Computational Design of Soft Materials

Do you enjoy working in interdisciplinary research at the crossroads of physics, chemistry, and computational science? Are you interested in designing novel molecules and materials

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Alberto Pérez de Alba Ortíz February 23, 2023

2 PhD positions in Computational Chemistry and AI

The project aims to understand the effect of ion type and concentration on the conformation and multimerization properties of beta-galactosidase, an industrially relevant enzyme.

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Peter Bolhuis November 16, 2022

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

Explore

  • Home
  • Research Areas
  • Publications
  • Members
    • Dr. ir. I.M. (Ioana) Ilie
    • Prof. dr. P.G. (Peter) Bolhuis
    • Dr. D. (David) Dubbeldam
    • Dr. ir. B. (Bernd) Ensing
    • Prof. dr. (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
Current Month

october, 2023

Current Month

november

03nov11:00 am1:00 pmBernd & Yuting

Event Details

Event Details

Time

(Friday) 11:00 am - 1:00 pm

Location

B0.208

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Literature

Yuting

Research

Bernd

10nov11:00 am1:00 pmDaria & Longjiao

Event Details

Event Details

Time

(Friday) 11:00 am - 1:00 pm

Location

C1.110

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Literature

Longjiao

Research

Daria

17nov11:00 pm1:00 pmProf. Christos Likos from the University of Vienna

Event Details

Event Details

Time

(Friday) 11:00 pm - 1:00 pm

Location

L1.02

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24nov11:00 am1:00 pmYouri & Thor

Event Details

Event Details

Time

(Friday) 11:00 am - 1:00 pm

Location

D1.115

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Literature

Thor

Research

Youri

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