66 citations · 67 across the 4 of their papers we have counts for
4 papers
Magnetic interactions and spin orders in Cr and V ring-shaped molecular magnets from non-collinear ab initio calculations
Maria Barbara Maccioni, Elia Stocco, Luca Binci +2
We investigate the magnetic interactions in the octanuclear molecular rings Cr and V using density functional theory within a non-collinear framework. By probing magnetic c…
Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model
Elia Stocco, Christian Carbogno, Mariana Rossi
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable…
Magnetic properties of Cr and V molecular rings from ab initio calculations
Elia Stocco, Maria Barbara Maccioni, Andrea Floris +1
Molecular nanomagnets are systems with a vast phenomenology and are very promising for a variety of technological applications, most notably spintronics and quantum information. Th…
i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
Yair Litman, Venkat Kapil, Yotam M. Y. Feldman +13
Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the…