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

Molsim 2022 Manual

  • Home
  • Protected: Molsim 2022 Manual
  • David Dubbeldam
  • January 4, 2022
[featured_image]
Download
Download is available until [expire_date]
  • Version
  • Download 322
  • File Size 4.22 MB
  • File Count 1
  • Create Date January 4, 2022
  • Last Updated December 12, 2024

Molsim 2022 Manual

Post navigation

Previous Post Previous post:
Exercises MolSim 2022
Next Post Next post:
Molsim 2022 lab explanation Statistical Thermo

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

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. 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
Current Month
Current Month

July

No Events

© Copyright 2019 tophive. All Rights Reserved.

X
X