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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All Courses
Molsim School
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