Computational Chemistry

Van 't Hoff Institute for Molecular Sciences University of Amsterdam

  • People
    • Dr. A. (Alberto) Pérez de Alba Ortíz
    • Prof. 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
    • Dr. Stefano Polla
    • 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
    • MDNA
    • 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

Ali Poursaidesfahani Thesis 2019

  • Home
  • Ali Poursaidesfahani Thesis 2019
  • David Dubbeldam
  • December 23, 2020


  • Version
  • Download 425
  • File Size 12.54 MB
  • File Count 1
  • Create Date December 23, 2020
  • Last Updated December 23, 2020
Download
Description

Post navigation

Previous Post Previous post:
Tim Becker Thesis 2019
Next Post Next post:
Sayee Prasaad Balaji Thesis 2015

News

Eline’s Bayesian Umbrella Quadrature in the cover of JCTC and presented at GRC

August 18, 2026

Ioana awarded first ever NextGenChem award

July 2, 2026

Alexander’s stoichiometry-based ML for discovery of salt hydrates published in Communications Materials

June 5, 2026

Stefano Polla appointed assistant professor in quantum computing for chemistry

May 19, 2026

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

March 3, 2025

Jacobus and Maxim present at NWO Physics

January 28, 2025

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
    • Prof. 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

October

No Events

© Copyright 2019 tophive. All Rights Reserved.

X
X