227 citations · 456 across the 33 of their papers we have counts for
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physics.chem-ph2023
Spin-vibronic dynamics in open-shell systems beyond the spin Hamiltonian formalism
Lorenzo A. Mariano, Sourav Mondal, Alessandro Lunghi
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…
physics.comp-ph2023★ 7 cited
Efficient Generation of Stable Linear Machine-Learning Force Fields with Uncertainty-Aware Active Learning
Valerio Briganti, Alessandro Lunghi
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 da…