227 citations · 456 across the 33 of their papers we have counts for
9 papers · 1 filter
Triangulene-based diradicals as a blueprint for molecular quantum platforms with optical addressability and long spin coherence times
Arup Sarkar, Cathal Hogan, Conor Ryan +2
The identification of molecules that combine long spin coherence times and efficient spin-optical interfaces, ideally at room temperature, is pivotal towards the development of mol…
Extending spin-lattice relaxation theory to three-phonon processes
Nilanjana Chanda, Alessandro Lunghi
Spin-lattice relaxation theory has been developed over almost a century, but some cardinal assumptions on the nature of the interactions involved have never been fully verified. Th…
On the challenge of simulating dipolar contributions to spin relaxation with generalized cluster correlation expansion methods
Conor Ryan, Alessandro Lunghi
The study of spin decoherence is often performed by assuming that spin-phonon interactions lead to relaxation at high temperatures, and spin-spin dipolar interactions instead contr…
Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets
Alessandro Lunghi
Spin-phonon interaction is known to drive magnetic relaxation in solid-state systems, but little evidence is available on how it affects coherence time. Here we extend fourth-order…
A multireference picture of electronic excited states in vanadyl and copper tetraphenyl porphyrin molecular qubits
Arup Sarkar, Alessandro Lunghi
The nature of electronic excited states has a deep impact on the dynamics of molecular spins, but remains poorly understood and characterized. Here we carry out a thorough multicon…
Spin decoherence in molecular crystals: nuclear v.s. electronic spin baths
Conor Ryan, Valerio Briganti, Cathal Hogan +2
The loss of information about the relative phase between two quantum states, known as decoherence, strongly limits resolution in electron paramagnetic spectroscopy and hampers the…
A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive
Aaron Fitzpatrick, Anton Nykänen, N. Walter Talarico +4
We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficie…
Spin-phonon decoherence in solid-state paramagnetic defects from first principles
Sourav Mondal, Alessandro Lunghi
Paramagnetic defects in diamond and hexagonal boron nitride possess a unique combination of spin and optical properties that make them prototypical solid-state qubits. Despite the…
Spin-Phonon Relaxation in Molecular Qubits from First Principles Spin Dynamics
Alessandro Lunghi, Stefano Sanvito
The coupling between electronic spins and lattice vibrations is fundamental for driving relaxation in magnetic materials. The debate over the nature of spin-phonon coupling dates b…