CASTLE

1. Stefano Carretta: Principal Investigator.
2. Paolo Santini: Full Professor. Microscopic Models for CISS in Electron Transfer.
3. Roberto De Renzi: Full Professor. Nuclear Magnetic Resonance and muon spin resonance experiments on chiral molecules to unveil CISS.
4. Anna Painelli: Full Professor. Models for CISS in electron-transfer reactions.
5. Giuseppe Allodi: Associate Professor. Nuclear Magnetic Resonance and muon spin resonance experiments on chiral molecules to unveil CISS.
6. Alessandro Chiesa: Research Associate. Theoretical models for CISS in Electron Transfer. Design of applications exploiting CISS for quantum technologies. Design and interpretation of time-resolved Electron Paramagnetic Resonance and Nuclear Magnetic Resonance experiments to unravel CISS.
7. Elena Garlatti: Research Associate. Models for CISS in Electron Transfer starting from ab-initio calculations. Design and interpretation of experiments showing CISS in electron-transfer.
8. Andrea Phan Huu: Research Associate. First-principles calculations and models for the CISS effect in electron transfer, including correlations and vibrations.
9. Pietro Bonfà: Research Associate. First-principles calculations based on density-functional theory on chiral molecules to derive parameters for a microscopic model of CISS in electron transfer.
10. Simone Chicco: postDOC researcher. Nuclear Magnetic Resonance experiments to investigate electron transfer and CISS.
11. Arianna Cantarella: PhD student. First-principles calculations on chiral molecules displaying CISS effect.
12. Leonardo Celada: PhD student. Models for CISS in transport and electron-trasfer setups. 
13. Laura Bersani: PhD student. Nuclear Magnetic Resonance experiments to investigate electron transfer and CISS.

The project is organized in a matrix format where each research tool (Molecular factory, Light & electron transfer, magnetic resonance, theory and quantum applications) is developed thanks to the contribution of the different units. Four research lines (RLs) will be commonly established and pursued by all partners through shared key tasks (KTs), thus maximizing the synergic effort.

• RL1: ELECTRON TRANFER IN D-c-A DYADS

               KT1.1: Synthesis of a library of D-c-A dyads.

               KT1.2: Photophysical characterization of D-c-A dyads.

• RL2: DETECTION OF INTRAMOLECULAR CISS

               KT2.1: Time-resolved EPR investigations.

               KT2.2: Broadband NMR measurements.

               KT2.3: Establish structural correlations and design strategies for CISS.

• RL3: QUBIT CONTROL BY CISS

               KT 3.1: Integration of Q to give Q-D-χ-A and reversed triads

               KT 3.2: Time-resolved EPR and spin polarization

               KT 3.3: Qubit initialization by polarization transfer and single-qubit gates

               KT 3.4: Exploiting CISS for two-qubit gate operations

• RL4: CISS: AN ENABLING TECHNOLOGY FOR QUANTUM APPLICATIONS

               KT 4.1: Self-assembly of Q-D-χ-A units

               KT 4.2: Field-effect transistor-based geometry

               KT 4.3: Proof of Q initialization and read-out by CISS

               KT 4.4: Exploiting CISS for Quantum Error Correction

• Theory: development of a microscopic model to understand the origin of CISS in electron transfer processes.
• Interpretation of experiments unravelling CISS, in particular time-resolved electron paramagnetic resonance (trEPR).
• Design, development and interpretation of novel experiments to unveil CISS in electron transfer, exploiting in particular nuclear spins as a probe.
• Design of applications for quantum technologies and of proof-of-principle experiments.

1. A. Chiesa, P. Santini, E. Garlatti, F. Luis, and S. Carretta, Molecular Nanomagnets: a viable path toward quantum information processing? Rep. Progr. Phys. 87, 034501 (2024).
2. H. J. Eckvahl,* N. A. Tcyrulnikov,* A. Chiesa,* J. M. Bradley, R. M. Young, S. Carretta, M. D. Krzyaniak, M. R. Wasielewski, Direct Observation of Chirality-Induced Spin Selectivity in Electron Donor-Acceptor Molecules, Science 382, 197-201 (2023).
3. E. Macaluso, A. Chiesa, P. Santini, R. Bittl, S. Carretta, Chiral-Induced Spin Selectivity in Photo-Induced Electron Transfer: investigating charge and spin dynamics in a master equation framework, J. Chem. Phys. 159, 084301 (2023).
4. A. Chiesa, A. Privitera, E. Macaluso, M. Mannini, R. Bittl, R. Naaman, M. Wasielewski, R. Sessoli, S. Carretta, Chirality-induced spin selectivity: an enabling technology for quantum applications, Adv. Mater. 35, 2300472 (2023).

• S. Carretta, “Molecular Spin Qudits and Chiral-Induced Spin Selectivity: two promising tools for Quantum Technologies”, invited talk at the workshop Electron spin for quantum technologies: from molecules to devices, Turin, May 19^th 2023.
• S. Carretta, “Molecular Spin Qubits and Chiral-Induced Spin Selectivity: Two Promising Tools for Quantum Technologies”, invited talk at Copenhagen Molecular Quantum Information Discussions, Copenhagen, June 28^th – 30^th  2023.
• A. Chiesa, "Chirality-Induced Spin Selectivity: An Enabling Technology for Quantum Applications", July 20^th 2023, invited talk at the KUJI QMAT Online Journal Club (online).
• S. Carretta, “Molecular Spin Qubits and Chiral-Induced Spin Selectivity: Two Promising Tools for Quantum Technologies”, invited talk at the ACS fall meeting, August 21^st 2023.
• A. Chiesa, "Chirality-Induced Spin Selectivity: An Enabling Technology for Quantum Applications", invited talk at 30^th Condensed Matter Division and FisMat joint Conference, Milan, September 4^th-8^th 2023. 
• S. Carretta, “Molecular Spin Qubits and Chiral-Induced Spin Selectivity: Two Promising Tools for Quantum Technologies”, invited talk at the 18^th IEEE Nanotechnology Materials and Devices Conference (NMDC 2023), Paestum, October 22^nd-25^th, 2023.
• A. Chiesa, "Chirality-Induced Spin Selectivity: An Enabling Technology for Quantum Applications", talk at the 5^th Chirality@The Nanoscale conference, Angers, October 1^st-5^th 2023.
• S. Carretta, "Molecular Spin Qubits and Chiral-Induced Spin Selectivity: Two Promising Tools for Quantum Technologies", invited talk at Spin meeting, Manchester, January 10^th-12^th 2024.
• A. Chiesa, "Chirality-Induced Spin Selectivity in Electron Donor-Acceptor molecules:a resource for Quantum Technologies", talk at the 8^th Italian Conference on Magnetism MAGNET2024, Milan, February 7^th-9^th 2024.
• A. Chiesa, "Molecular spin quDits: a viable path for quantum information processing", seminar at University of Florence, March 27th 2024.
• S. Carretta, "Molecular nanomagnets: a viable path toward quantum information processing?", lecture at the European School on Molecular Nanoscience (ESMOLNA 2024).
• S. Carretta, "Molecular Spin Qudits and Chiral-Induced Spin Selectivity: two promising tools for Quantum Technologies", semiplenary talk at the International Conference on Magnetism (ICM2024), Bologna, June 30^th-July 5^th 2024.
• A. Cantarella, "...", poster at the International Conference on Magnetism (ICM2024), Bologna, June 30^th-July 5^th 2024.
• A. Chiesa, "Modeling Chirality-Induced Spin Selectivity in Electron Transfer for Quantum Applications", invited talk at the CMT conference 2024, the meeting of the condensed matter theory Italian community, Brixen August 28^th-30^th 2024.
• A. Cantarella, "Photoinduced CISS in Organic Molecules: Ab-Initio Parametrization of a Generalized Hubbard Model", poster at Chirality and Quantum Spin - a Critical Assessment, Bad Honnef December 2-5 2024.
• L. Celada, "Many-Body Models for Chirality-Induced Spin Selectivity in Electron Transfer", poster at Chirality and Quantum Spin - a Critical Assessment, Bad Honnef December 2-5 ,2024.
• A. Chiesa, "Molecular Nanomagnets: a viable path for quantum information processing", invited talk at the Workshop: Molecular Spins for Quantum Information Technologies, Parma, February 20, 2025.
• A. Chiesa, "Modeling Chirality-Induced Spin Selectivity in Electron Transfer for Quantum Applications", online CISS seminar March 12, 2025.
• A. Chiesa, "Molecular nanomagnets and chiral-induced spin selectivity: two useful tools for quantum technologies", invited talk at the APS Joint March Meeting and April Meeting Global Physics Summit, Anaheim March 16-21, 2025.