In our most recent publication we studied the exohedrally metal decorated carbon-fullerenes. These systems are a promising material for its good hydrogen adsorption (high concentrations and with optimal binding energies) properties. Since their geometry and type of coverage play a key role in determining the H2 adsorption mechanism, in this paper just accepted in Carbon …
The combination of optical transparency and high electrical conductivity enables transparent conductive oxide (TCO) materials to be used for a wide range of applications -from simple smart window coatings to OLEDs and futuristic see-through displays. Doped tin-dioxide (SnO2) is an important semiconductor that is already used for these applications. However, in order to uncover the …
Electromagnetic radiation is not longer the only way to probe the universe: Gravitational waves are in! Gravitational waves are ‘ripples’ in the fabric of space-time caused by some of the most violent and energetic processes in the Universe. Albert Einstein predicted the existence of gravitational waves in 1916 in his general theory of relativity. Einstein’s …
The supercomputer ranking published on 19 June 2017, places Switzerland’s 19.6 petaflop Piz Daint supercomputer third in the world after Sunway TaihuLight and Tianhe 2, two Chinese supercomputers. Piz Daint’s recent upgrades allowed it to climb five positions up the ranking. With a performance of 93 petaflops, China’s TaihuLight is by far the most powerful number-cruncher …
During my days in Ithaca (Cornell University), I had the great opportunity to show part of my research work. I decided to present the research I had just finished at that time about the possibility to induce a metallic state in ice under pressure and upon doping; thinking that I could attract more attention and …
Our first computing grant was just accepted by the CSCS! Last year I submitted a project requesting for 700 thousand computing nodes hours to run an exploration over hundreds of molecules. These systems are candidates to test under pressure, and upon doping for the potential to become high temperature superconductors. Last march 24th (2017) our …
We have recently investigated the possibility of achieve high-temperature superconductivity in hydrides under pressure by inducing metallization of otherwise insulating phases through doping, a path previously used to render standard semiconductors superconducting at ambient pressure. Following this idea, we study HO, which is one of the most abundant and well-studied substances in the universe! We …
Probably one of the most excited week of my life. For many reasons and in many contexts that week in Lindau was simply: magical. After the semester ends, and with new projects in hands, with two nice papers ready to submit, summer that knocks the door, and personally ready to turn on the page. All …
In past May (2016) I attended the first edition of the International Workshop in “Superhydrides Towards Room Temperature Superconductivity: Hydrides and More” . This was a very important meeting because it gathers the world-wide experts (experimentalists and theoreticians) in this matter. The urgent of the meeting was motivated by the 200 K superconductivity discovered only …
An international collaboration with colleagues from over 30 universities and institutes to investigated to what extent quantum simulations of material properties agree when they are performed by different researchers and with different software. Thanks to an online collaboration, they successfully demonstrated that the most recent generations of codes agree well, in contrast to earlier generations. …
- SuperMUC will build a high pressure materials database. May 31, 2018
- Structures of exohedrally decorated C60-Fullerenes December 18, 2017
- Searching hole-electron substitutional dopants for TCO technologies November 17, 2017
Stats for my site (Oct. 2017)
Over 11,000 unique visitors since 2012. Most visitors were from Mexico, France, USA, Russia and Germany. A total of 109 different countries! (almost all blue colored world-map).
“Begin doing what you want to do now.
We are not living in eternity.
We have only this moment,
sparkling like a star in our
hand–and melting like a snowflake…”
– Francis Bacon
All theoretical chemistry is really physics; and all theoretical chemists know it. – Richard Feynman.