We are organizing a mini-workshop on electron correlation, to be held in Toulouse, NOVEMBER 2-3 2015. This event will be an informal workshop of about 20-30 people, with plenty of time dedicated to discussion before, during, after a talk. We will have only a few talks (about 6-7) over the two days. The talks are… Read More
This is my small collection of Quantum Espresso (PWSCF) and Yambo input files that I used in my papers or for different testing purposes. I cannot give any warranty whatsoever these files are correct and fit your actual needs. Carbon nanotubes: 7×7, 4×2, 10×10, 1×10 Carbon nanoribbons: ANGR7 Diamond Donor Acceptor Complexes from ref. Appl. Phys. Lett…. Read More
ANR (Agence Nationale de la Recherche) is the National French Agency for Research. It is an independent agency created in 2005 that funds scientific teams, both public and private, in the form of short-term research contracts. In general the idea to fund research on projects is not bad but at present ANR is not working … Read More
When in 2001 the biochemist Patrick O. Brown and the computational biologist Michael Eisen decided to open their non-profit foundation PLOS (Public Library of Science) to create a scientific journal that leaves free access to all articles published, no one believed they would have succeed. But they were tenacious and with the help of the… Read More
Here my new poster that I will present to the PSI-K conference on the GW renormalization of the electron-phonon interaction. In this poster I summarize results from different group that used GW approximation to correct the electron-phonon coupling obtained from the Kohn-Sham Hamiltonian. Thanks to these corrections it was possible to reproduce and predict different… Read More
My new talk for the GDR-Corr is available online. In this talk I will present our new (probably not so new now) approach to calculate non-linear response in extended systems within the GW plus Bethe-Salpeter equation. I put different references in the presentation that can be interesting for the reader.
I just attended a seminar on network theory. The speaker[1] presented some interesting results on the reconstruction of communities in static or temporal networks. The talk was clear and the results well presented, but the thing that impressed me more were the references. The results, he had shown, were produced from 2012 to 2015 and… Read More
Dipole moment of molecules is an interesting physical quantity that can be directly measured in experiments and easily calculated by means of Density Functional Theory. Moreover the size of dipole moment is related to many other properties as for instance light emission in polar liquid, packing of molecules in solid phase. With NWChem it can… Read More
When my friend Lorenzo suggested me this book I was a bit sceptic. I thought that a book on material science could be boring. It is not astrophysics, there are not black holes, stars or galaxies. But Mark Miodownik is able to make material science interesting and absorbing. The book starts with a picture of… Read More
When you work with experimentalists, often you have to deal with atomic structures reconstructed from x-ray scattering in the format of CIF files. Here I briefly explain how to transform these files in a QuantumEspresso input using Mercury code. Open the CIF file with Mercury then follow the points below: 1) remove the duplicated atoms, … Read More