no code implementations • 27 Nov 2021 • Andrea Pedrielli, Paolo E. Trevisanutto, Lorenzo Monacelli, Giovanni Garberoglio, Nicola M. Pugno, Simone Taioli
In order to increase the size of NPs toward experiments of hydrogen desorption from MgH$_2$ we devise a computationally effective Machine Learning model trained to accurately determine the forces and total energies (i. e. the potential energy surfaces), integrating the latter with the SSCHA model to fully include the anharmonic effects.
no code implementations • 8 Jul 2019 • Emilia Ridolfi, Paolo E. Trevisanutto, Vitor M. Pereira
We adapted a recently proposed framework to characterize the optical response of interacting electrons in solids in order to expedite its computation without compromise in accuracy at the microscopic level.
Materials Science Strongly Correlated Electrons
2 code implementations • 22 May 2018 • Mirco Milletarí, Thiparat Chotibut, Paolo E. Trevisanutto
We present a Statistical Mechanics (SM) model of deep neural networks, connecting the energy-based and the feed forward networks (FFN) approach.