News

Unravelling molecular self-organisation using a machine learning approach


Our collaborative paper with the Frankfurt groups lead by Robert Covino and Gerhard Hummer just appeared in Nature Computational Science. Arjun and Peter Bolhuis contributed with their modelling expertise in methane-hydrate nucleation and crystallisation. They were able to show that, for the first time, an algorithm can automatically learn the essence about a switch from […]

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Alberto Pérez de Alba Ortíz appointed as assistant professor


Dr Alberto Pérez de Alba Ortíz has been appointed as assistant professor in Computational Soft Matter, affiliated both to the van ‘t Hoff Institute for Molecular Sciences and the Informatics Institute. Using machine learning- and free energy-based strategies, he aims to design novel living-like materials with tunable and responsive properties. Such materials promise solutions for […]

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2 PhD vacancies Computational Chemistry and AI


In collaboration with Microsoft Research Amsterdam we are actively looking for a PhD candidates for projects on the crossroads between Computational Chemistry and AI. Full posting on the ACMM website

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Vacancy for a postdoc in biomolecular simulation


Do you enjoy working in an interdisciplinary research setting? Do you like studying problems in molecular biology using chemical knowledge, algorithms and high performance computing? The Computational Chemistry group is looking for an ambitious postdoctoral researcher with experience in biomolecular simulation. Your research will be part of the group headed by Jocelyne Vreede. https://vacatures.uva.nl/UvA/job/Postdoctoral-Researcher-in-Molecular-Simulations-of-Protein-DNA-Complexes/748952802/

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