We combine molecular modeling, computer simulations & machine learning to explore new routes in physical chemistry, self-assembly & bioinspired materials.
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
Our research is currently supported by
