MARVEL researchers improve description of defective oxides with first principles calculation of site-dependent +U correction parameters

Understanding how defects can affect ground-state properties, promote phase transitions, or enable entirely new functionalities in some strongly correlated oxides has become a subject of major interest in the field of design and discovery of novel functional materials. SrMnO3 (SMO) is a particularly interesting example, but better characterization is needed. MARVEL researchers have now a developed a method that may lead to more accurate predictions of the energetics of defects associated with in-gap states in semiconductors or insulators.

Study shows pressure induces unusually high electrical conductivity in polyiodide

A study into the effects of high mechanical pressure on the polyiodide TEAI showed that it brings unusually high electrical conductivity starting from insulating state, suggesting that the material may be useful as a switchable semiconductor. This system could represent an alternative to gel electrolytes and ionic liquids in dye-synthesized solar cells. The paper, Pressure-induced Polymerization and Electrical Conductivity of a Polyiodide, has been published as a Very Important Paper in Angewandte Chemie.

New biologically derived metal-organic framework mimics DNA

EPFL chemical engineers led by Kyriakos Stylianou, experimental group leader in MARVEL Design and Discovery Project 4, have synthesized a biologically-derived metal-organic framework on which the hydrogen bonding that forms the DNA double helix can be mimicked and studied like never before. The paper, Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor, has been published in Nature Communications.

NCCR MARVEL acknowledges International Women's Day 2019

International Women's Day on March 8, is a day of celebration, acknowledging the social, economic, cultural, political and scientific achievements of women. It is also a day of strikes and activism, serving to highlight deficiencies that still exist and to demand the progress that must still be achieved in advocating and ensuring the rights of women and accelerating better gender balance in all areas of life. 

MARVEL's Clémence Corminboeuf interviewed as part of Nature Chemistry's 10-year celebrations

To mark the occasion of Nature Chemistry turning 10 years old, the publication asked scientists working in different areas of chemistry to tell them what they thought the most exciting, interesting or challenging aspects related to the development of their main field of research will be. Clémence Corminboeuf,  a member of MARVEL's executive committee as well as professor and head of EPFL's Laboratory for Computational Molecular Design, was asked to give her thoughts on computational chemistry. 

Screening of Gravity - Second "Soirées CECAM/MARVEL" Movie Night

Join us to watch Gravity, the story of astronauts stranded in space after the mid-orbit destruction of their space shuttle and their attempt to return to Earth.  

Screening of Good Will Hunting - Third "Soirées CECAM/MARVEL" Movie Night

Join us to watch Good Will Hunting, the story of an unrecognized genius who, as part of an agreement after assaulting a police officer, becomes a client of a therapist and studies advanced mathematics with a renowned professor.  

MARVEL Junior Seminar — April 2019

Welcome to the 24th MARVEL Junior Seminar on Thursday April 11, 2019, 12:15 pm, EPFL, room MED 0 1418. Giulio Imbalzano (COSMO, EPFL) and Thomas Bischoff (CSEA, EPFL) will present their research. The seminar is chaired by Michele Pizzochero.