I am a PhD student of physics at SISSA, in Trieste (Italy). I work in the field of numerical simulation. 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
- ThermoCepstrum: A code to estimate transport coefficients from the cepstral analysis of a multi-variate current stationary time series Loris Ercole, Riccardo Bertossa, Sebastiano Bisacchi
- analisi a parallel tool to do many different type of calculations on big molecular dynamic trajectories.
- aiida-QECpWorkChain a code to automatically perform a Car-Parrinello molecular dynamics simulation, starting from scratch with an automatic choice of the most important parameters.
- QEHeat code to compute the energy flux with DFT