Research

We combine molecular modeling, computer simulations & machine learning to explore new routes in physical chemistry, self-assembly & bioinspired materials.

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Self-assembly & supramolecular chemistry

 A few selected papers:
Nature Commun. 2017, 8, 147
ACS Nano 2017, 11, 1000-11

Stimuli responsive and reactive supramolecular systems

 A few selected papers:
JPCB 2018, 122, 4169-4178
 JACS 2014, 136, 5385-99

Out-of-equilibrium molecular systems

A few selected papers:
ACS Nano 2019, 13, 4, 4322-4334

Complex molecular systems – auto regulation & emerging properties

Defects in dynamic supramolecular materials

A few selected papers:
J. Phys. Chem. B 2020, 124, 3, 589-599

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Our research is currently supported by