I am very excited to show you my latest work that have been on parallel for over a year. Especially, last 4-5 months have been of intense –insane– work. The number of hours invested in this work were many more that those original planned. I wish to thank to my collaborators and the great team …
This research is featured in CSCS (National supercomputer center of Switzerland) here: link and other sites such as PhysOrg and HPCwire! German version: An transparenter Elektronik wird intensiv geforscht. Sie steht für perfektes Design elektronsicher oder optischer Geräte. Forscher der Universität Basel haben nun mit Hilfe von Computersimulation auf dem Supercomputer «Piz Daint» chemische Elemente identifiziert, …
The advancement of transparent electronics, one of the most anticipated technological developments for the future, is currently inhibited by a shortage of high-performance p-type conductors. In materials, doping is the intentional introduction of impurities into an intrinsic semiconductor for the purpose of modulating its electrical and optical and structural properties. Recent demonstration of tin monoxide as …
Perovskites are among the most promising and versatile class of candidate compounds for new or improved materials in energy applications, including photovoltaics, superconductivity, and lasing. With the general formula ABX3, the perovskite structure consists of corner-sharing BX6 octahedra forming a three-dimensional (3D) framework that provides room for the A units in the resulting cuboctahedral cavities. …
High pressure is an exciting field that has evolved incredibly far since the pioneering work of Cailletet, Amagat and Bridgman. A substantial amount of research in the field of high pressure (post-Bridgman era) was triggered by the tantalizing idea of metalizing hydrogen (Wigner and Huntington transition) which dates back to the mid 30’s. The metalization …
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 …
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 …
- Review on high-Tc superconductors at HP: Methods and Materials May 17, 2019
- New playground materials: Magnetic nitrides Perovskites March 28, 2019
- Transparente Elektronik gewinnt an Fahrt February 5, 2019
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“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.