Optical absorption properties of metal-organic frameworks: Solid state: Versus molecular perspective
- Maria Fumanal
- Clémence Corminboeuf
- et al.
- 2020
- Physical Chemistry Chemical Physics
Paper
Publications
113 results for Ivano Tavernelli
Charge Separation and Charge Carrier Mobility in Photocatalytic Metal-Organic Frameworks
- Maria Fumanal
- Andres Ortega-Guerrero
- et al.
- 2020
- Advanced Functional Materials
PaperHardware efficient quantum algorithms for vibrational structure calculations
- Pauline J. Ollitrault
- Alberto Baiardi
- et al.
- 2020
- Chemical Science
PaperCorrelation effects in parallel tempering and the role of the swapping frequency
- Ivano Tavernelli
- 2020
- Physical Chemistry Chemical Physics
PaperImproving variational quantum optimization using CVaR
- Panagiotis Kl. Barkoutsos
- Giacomo Nannicini
- et al.
- 2020
- Quantum
PaperInsights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal-Organic Framework
- Andres Ortega-Guerrero
- Maria Fumanal
- et al.
- 2020
- Chemistry of Materials
PaperQuantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
- Igor O. Sokolov
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Journal of Chemical Physics
PaperEnergy-based descriptors for photo-catalytically active metal-organic framework discovery
- Maria Fumanal
- Gloria Capano
- et al.
- 2020
- Journal of Materials Chemistry A
PaperNonunitary Operations for Ground-State Calculations in Near-Term Quantum Computers
- Guglielmo Mazzola
- Pauline J. Ollitrault
- et al.
- 2019
- Physical Review Letters
PaperCharge migration in photo-ionized aromatic amino acids
- A. Trabattoni
- M. Galli
- et al.
- 2019
- Philos. Trans. R. Soc. A
Paper