Zobrazeno 1 - 10
of 170
pro vyhledávání: '"Lunghi, Alessandro"'
Autor:
Mariano, Lorenzo A., Nguyen, Vu Ha Anh, Petersen, Jonatan B., Bjørnsson, Magnus, Bendix, Jesper, Eaton, Gareth R., Eaton, Sandra S., Lunghi, Alessandro
Magnetic resonance is a prime method for the study of chemical and biological structures and their dynamical processes. The interpretation of these experiments relies on considering the spin of electrons as the sole relevant degree of freedom. By app
Externí odkaz:
http://arxiv.org/abs/2407.01380
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods has been l
Externí odkaz:
http://arxiv.org/abs/2310.04278
Autor:
Briganti, Valerio, Lunghi, Alessandro
Machine-learning force fields enable an accurate and universal description of the potential energy surface of molecules and materials on the basis of a training set of ab initio data. However, large-scale applications of these methods rest on the pos
Externí odkaz:
http://arxiv.org/abs/2303.16538
Autor:
Mondal, Sourav, Lunghi, Alessandro
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 coherence of these spin qubits being critically limited by spin-phonon
Externí odkaz:
http://arxiv.org/abs/2212.11705
Autor:
Fitzpatrick, Aaron, Nykänen, Anton, Talarico, N. Walter, Lunghi, Alessandro, Maniscalco, Sabrina, García-Pérez, Guillermo, Knecht, Stefan
We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term quantum comput
Externí odkaz:
http://arxiv.org/abs/2212.11405
Autor:
Mondal, Sourav, Lunghi, Alessandro
The study of how spin interacts with lattice vibrations and relaxes to equilibrium provides unique insights on its chemical environment and the relation between electronic structure and molecular composition. Despite its importance for several discip
Externí odkaz:
http://arxiv.org/abs/2208.09674
Autor:
Lunghi, Alessandro
Magnetic molecules have played a central role in the development of magnetism and coordination chemistry and their study keeps leading innovation in cutting-edge scientific fields such as magnetic resonance, magnetism, spintronics, and quantum techno
Externí odkaz:
http://arxiv.org/abs/2202.03776
Autor:
Nguyen, Vu Ha Anh, Lunghi, Alessandro
Embedding molecular symmetries into machine-learning models is key for efficient learning of chemico-physical scalar properties, but little evidence on how to extend the same strategy to tensorial quantities exists. Here we formulate a scalable equiv
Externí odkaz:
http://arxiv.org/abs/2202.01449
Autor:
Lunghi, Alessandro
Spin-phonon coupling is the main drive of spin relaxation and decoherence in solid-state semiconductors at finite temperature. Controlling this interaction is a central problem for many disciplines, ranging from magnetic resonance to quantum technolo
Externí odkaz:
http://arxiv.org/abs/2112.09236
By using ab-initio-accurate force fields and molecular dynamics simulations we demonstrate that the layer stiffness has profound effects on the superlubricant state of two-dimensional van der Waals heterostructures. These are engineered to have ident
Externí odkaz:
http://arxiv.org/abs/2107.00486