Computational Chemistry

Van 't Hoff Institute for Molecular Sciences University of Amsterdam

  • People
    • 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
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    • Biomolecular simulations
    • Chemical reactions in complex environments
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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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MolSim2011 MD

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  • MolSim2011 MD
  • David Dubbeldam
  • November 12, 2020


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News

2 PhD vacancies Computational Chemistry and AI

November 16, 2022

Vacancy for a postdoc in biomolecular simulation

July 7, 2022

Andrew Ferguson visiting professor at Amsterdam Centre for Multiscale Modelling

June 3, 2022

Cum Laude for chemistry PhD graduate Alberto Pérez de Alba Ortíz

June 3, 2022

Jocelyne Vreede is new programme director of BSc in Chemical Sciences

June 3, 2022

Structure prediction of a bacterial spore membrane protein

April 18, 2021

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

february, 2023

Current Month

march

03mar11:00 am1:00 pmYuting & Jacobus11:00 am - 1:00 pm Research:Yuting Literature:Jacobus Event Type :Group meeting

Time

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

Location

D1.115

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Literature

Jacobus

Research

Yuting

10mar11:00 am1:00 pmLingshu & Ioana11:00 am - 1:00 pm Research:Lingshu Literature:Ioana Event Type :Group meeting

Time

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

Location

A1.28

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Literature

Ioana

Research

Lingshu

D1.116Science Park

17mar11:00 am1:00 pmAlba & ?11:00 am - 1:00 pm Research:Alba Event Type :Group meeting

Time

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

Location

D1.116

Science Park

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Research

Alba

24mar11:00 am1:00 pmDaria & Tamika11:00 am - 1:00 pm Research:Daria Literature:Tamika Event Type :Group meeting

Time

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

Location

D1.113

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Literature

Tamika

Research

Daria

31mar11:00 am1:00 pmLongjiao & Bernd11:00 am - 1:00 pm Research:Longjiao Literature:Bernd Event Type :Group meeting

Time

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

Location

D1.110

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Literature

Bernd

Research

Longjiao

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