Alessandro Lunghi

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Assistant Professor

Trinity College Dublin

Ireland

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Artificial intelligence design of molecular nano-magnets and molecular qubits

Open Date: 2021-01-01

Close Date: 2025-12-31

Articles (12)

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2024

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2024

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2023

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2021

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2021

Collaborators (3)

Matteo Atzori

Université Grenoble Alpes

FRANCE

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Federico Totti

Associate Professor

Università degli Studi di Napoli Federico II

ITALY

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Stefano Sanvito

Trinity College

IRELAND

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Alessandro Lunghi

Research Interests

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Recent Grants

Articles (12)

Self-Consistent Field Approach for the Variational Quantum Eigensolver: Orbital Optimization Goes Adaptive

Spin-Vibronic Dynamics in Open-Shell Systems beyond the Spin Hamiltonian Formalism

Efficient generation of stable linear machine-learning force fields with uncertainty-aware active learning

Spin-phonon decoherence in solid-state paramagnetic defects from first principles

Stiffness and Atomic-Scale Friction in Superlubricant MoS2 Bilayers

The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits

Unraveling the Contributions to Spin–Lattice Relaxation in Kramers Single-Molecule Magnets

Computational design of magnetic molecules and their environment using quantum chemistry, machine learning and multiscale simulations

Toward exact predictions of spin-phonon relaxation times: An ab initio implementation of open quantum systems theory

Predicting tensorial molecular properties with equivariant machine learning models

Engineering Chemisorption of Fe4 Single‐Molecule Magnets on Gold

Temperature Dependence of Spin–Phonon Coupling in [VO(acac)2]: A Computational and Spectroscopic Study

Collaborators (3)

Matteo Atzori

Federico Totti

Stefano Sanvito

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