I work in the field of numerical simulation of condensed matter. In the top menu you can find some links to some howtos related to my work.
Here you can find a list of my published works:
- Heat transport in insulators from ab initio Green-Kubo theory Stefano Baroni, Riccardo Bertossa, Loris Ercole, Federico Grasselli, Aris Marcolongo (also published in Handbook of Materials Modeling. Volume 2 Applications: Current and Emerging Materials, editor Sidney Yip, Wanda Andreoni, Springer International Publishing, 2018)
- Theory and Numerical Simulation of Heat Transport in Multicomponent Systems Riccardo Bertossa, Federico Grasselli, Loris Ercole, and Stefano Baroni (Phys. Rev. Lett. 122, 255901 – Published 28 June 2019)
- QEHeat: An open-source energy flux calculator for the computation of heat-transport coefficients from first principles Aris Marcolongo, Riccardo Bertossa, Davide Tisi, Stefano Baroni (Comput. Phys. Commun., 269:108090, December 2021. doi:10.1016/j.cpc.2021.108090)
- Heat transport in liquid water from first-principles and deep neural network simulations. Davide Tisi, Linfeng Zhang, Riccardo Bertossa, Han Wang, Roberto Car, and Stefano Baroni (Phys. Rev. B, 104(22):224202, December 2021. doi:10.1103/physrevb.104.224202 )
- Sportran: A code to estimate transport coefficients from the cepstral analysis of (multivariate) current time series. Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi, and Stefano Baroni. (Computer Physics Communications, page 108470, 2022. doi:10.1016/j.cpc.2022.108470 )