News

HRSMC mobility grant from Ashique, and fellowships for Ioana, David and Peter


CompChem does great at the HRSMC funding programmes! Ashique has obtained a mobility grant to visit the group of Prof. Dr. Jurg Hutter at University of Zurich, Switzerland. Ioana will host Dr. Divya Nayar (Department of Materials Science and Engineering, Indian Institute of Technology Delhi). David, together with Dr. Ştefania Grecea, will host Dr. Vincenzo […]

Read more

New paper by Tamika van ‘t Hoff


Tamika has published a new paper about the “Experimental validation of a reaction network model for autoxidation of linoleate esters“. CompChem alumni Yuliia Orlova and Becca Harmon are also authors, as well as HIMS researchers Joen Hermans , Alessa Gambardella, and Piet Iedema. Congrats, Tamika!

Read more

Marie Curie funding for Jocelyne Vreede 


Dr Jocelyne Vreede of the Computational Chemistry group at the Van ‘t Hoff Institute for Molecular Sciences has recently been awarded funding as part of the Marie Curie doctoral network MeChaNiSM. This will enable her to appoint two PhD students who will work on molecular simulation methods for nucleic acids (DNA and RNA). The aim […]

Read more

Enhanced sampling strategies for molecular simulation of DNA


In a review paper that has been recently published in WIREs Computational Molecular Science, researchers of the Computational Science group at the Van ‘t Hoff Institute for Molecular Sciences describe successful approaches for simulating molecular systems involving DNA. They show how these can be combined in several ways to tackle complex DNA transitions, integrating information […]

Read more