Computational Chemistry Group
The compchem group is the theoretical chemistry group at the University of Amsterdam
with the expertise in the field of modelling of molecules, materials, and biological processes.
Biomolecular simulations Read more Understanding of living matter is important from a basic science point of view as well as
for applications in societal relevant areas such as health, energy and sustainability.
Metal-organic framework Schematic of molecular stacking of xylenes in rectangular channels of a MOF Read more iRASPA is an in-house visualization package aimed at material science Read more iRASPA Molecular visualisation Open path sampling Read more A Python library to facilitate path sampling algorithms Computational polymer chemistry Fundamental understanding of chemical and physical processes in a wide range of polymer systems,
from oil paint layers to industrially produced compounds, covering polymerization and
long-term degradation.
Read more
Hoogsteen DNA base pairing Read more Sequence dependence of transient Hoogsteen base pairing in DNA AI chemistry Finding Collective Variables with FABULOUS Read more
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News

University
Alberto Pérez de Alba Ortíz

ChemAI poster prize for Eline

Eline Kempkes, PhD in the group of Alberto Pérez de Alba Ortíz, won the 3rd-place poster prize during the ChemAI conference. She presented her work

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