A chain of copper and carbon atoms may be the thinnest metallic wire

Researchers at EPFL have employed computational tools to look for new 1-D materials that could be exfoliated from known three-dimensional crystals. Out of an initial list of over 780,000 crystals, they came up with a list of 800 1-D materials, out of which they selected the 14 best candidates - compounds that have not been synthesized as actual wires yet, but that simulations suggest as feasible. Among them is the metallic wire CuC2, a straight-line chain composed by two carbon atoms and one copper atom, the thinnest metallic nanowire stable at 0 K found so far. The article is published in ACS Nano.

A direct probe of the quantum geometry of materials

MARVEL scientists at the University of Fribourg have devised new mathematical techniques and applied them to an experimental method called angle-resolved photoemission spectroscopy (ARPES) to measure the Berry curvature, a particular way by which the laws of quantum mechanics interact with the electronic structure of a material and dictate the possible behavior of its electrons. So far this fundamental quantum geometrical property can only be measured indirectly. The study, published in Science Advances, could pave the way to a better understanding of topological materials. 

International collaboration lays the foundation for future AI for materials

Artificial intelligence (AI) is accelerating the development of new materials. A prerequisite for AI in materials research is large-scale use and exchange of data on materials, which is facilitated by a broad international standard. A major international collaboration including MARVEL and CECAM now presents an extended version of the OPTIMADE standard.

The 2024 National ORD Prize by the Swiss Academies of Arts and Sciences is open for entries

Since 2023, the Academies of Sciences Switzerland have been awarding the National Prize for Open Research Data (ORD Prize). This is part of the Action Plan "Open Research Data" implemented by the Academies as part of the National Strategy for Open Research Data. MARVEL Director Nicola Marzari, with his team, was among the four researchers who received a special acknowledgement from the jury at the first edition. Applications for the 2024 edition are open until 31 July 2024. Consider your participation.

MARVEL seminar: "Designing excited states for energy and quantum-information applications" (Felipe H. da Jornada)

This MARVEL seminar will be given by Felipe H. da Jornada, Assistant Professor at Stanford University (CA, USA). He will be giving a presentation entitled: "Designing excited states for energy and quantum-information applications".

MARVEL Industry Day @Empa

The MARVEL Industry Day will take place on September 5, 2024 at the Empa-Akademie in Dübendorf. The day-long workshop will bring together members of industry, academia, and public research institutions to discuss areas in which computer simulations can provide important insights to industry.  The workshop will include invited seminars from academic and industrial partners. Save the date. More information will come soon.