Band Structure Methods

Tomorrow I will start my summer semester lecture in Band Structure Methods… pass by if you are interested 😉

New paper published

Our paper “Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure” was published today on Physical Review B, Rapid Communication, and selected as a Research Highlight.
You can find it here.

Total energy and force methods 2016

From the 11th to the 13th of January 2016, I will present our recent work on high-Tc superconducting hydrides at the workshop “Total energy and force methods 2016”, at the Université du Luxembourg. (web page here ).

Bachelor Thesis, Lukas Hoermann

Congratulations to Lukas Hoermann, who just defended his bachelor thesis on “Electronic Structure of CaCuO2 in the LSDA+U Approximation”.

Visit Tanusri Saha Dasgupta

Prof. Tanusri Saha-Dasgupta, from the S.N. Bose National Centre for Basic Sciences (India), is visiting our group this week. She is our partner in a Indo-Austrian cooperation on MXenes phases.

Bachelor Thesis

Congratulations to Patrick Schiffmann, who just defended his bachelor thesis on “Superconductivity in FCC Aluminium with Density Functional Perturbation Theory”. Ad majora!

Final Projects, DFT lecture

The theoretical and practical part of the lecture 515.475 (Band Structure Methods) are over.
The projects for this year are:

• Equation of state of Li under pressure.
• Effect of stacking on the electronic structure of multilayer graphene.
• Peierls transitions in gold chains.
• Al (100): surface bands.
• Magnetic ordering in Fe superconductors.

Back from Rome…

I came back from Rome on friday, after escaping a huge fire that burnt down half of the airport – no kidding 😉
Anyway, apart from a slight delay, everything went well… and, most importantly, the GBB60 workshop turned out to be a quite nice event… this is a picture of us organizers and Giovanni Bachelet on the last day of the conference. More pics will soon be available on the conference web site.

Bachelor Presentation, Andreas Theiler

Congratulations to Andreas Theiler, who will be defending his Bachelor Thesis on
“Description of the Evolutionary Algorithm for Crystal Structure Prediction and Applications to new phases of borides”, tomorrow, 12-5-2015, in the seminar room 209 of the ITP-CP.

GBB 60 is about to start…

The workshop “Computer simulations for condensed phase systems” that I am co-organising with some of my former colleagues of “La Sapienza” is about to start. The conference web page is here.