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We study a variety of complex soft-condensed physical systems, with a focus on macromolecules of biological interest. We are also interested in the statistical mechanics of inherently non-equilibrium systems, such as active agents.
We develop advanced algoritihms for molecular simulations based on combining theoretical physics techniques, AI with quantum computers and quantum simulators.
Applications of these methods range from biophysics to pharmacology and are carried out in close collaboration with experimental biophysicists, biochemists, and structural biologists.
In particular, I serve as scientific spokeperson of ZePrion, a space-based scientific enterprise that aims at structurally reconstructing cryptic protein structures, by exploiting the microgravity condition in the International Space Station.
A representative selection of recent publications
A representative selection of recent publications
"Sampling Rare Conformational Transitions with a Quantum Computer", D. Ghamari, P. Hauke, R. Covino, and P. Faccioli, Scientific Reports 12, 16336 (2022).
"Polymer Physics by Quantum Computing", C. Micheletti, P. Hauke, and P. Faccioli, Phys. Rev. Lett. 127, 080501 (2021).
"Dominant Reaction Pathways by Quantum Computing", P. Hauke, G. Mattiotti, and P. Faccioli, Phys. Rev. Lett. 126, 028104 (2021).
"Target Search of Active Agents Crossing High Energy Barriers", L. Zanovello, M. Caraglio, T. Franosh, and P. Faccioli, Phys. Rev. Lett. 126, 018001 (2021).
"Pharmacological Inactivation of the Prion Protein by Targeting a Folding Intermediate", G. Spagnolli et al., Nature Comms. Biol. 462 (2021)
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