NEWS

Chiral Isochalcogenourea-Catalysed Enantioselective...

Allenoates are versatile building blocks which are primarily activated and controlled using chiral tert. phosphine and tert. amine Lewis bases. We...
Click to know more

Ionic Liquids for Non-Aqueous Redox Flow Batteries

Elucidating the Iron-Based Ionic Liquid [C4py][FeCl4]: Structural Insights and Potential for Nonaqueous Redox Flow Batteries In this study, a...
Click to know more

Non-identical moiré twins in bilayer graphene

The superlattice obtained by aligning a monolayer graphene and boron nitride (BN) inherits from the hexagonal lattice a sixty degrees periodicity...
Click to know more

Simplified quantum chemistry methods to evaluate...

This review presents the theoretical background concerning simplified quantum chemistry (sQC) methods to compute non-linear optical (NLO)...
Click to know more

A “gold standard” for computational materials science...

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows Density-functional theory...
Click to know more

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Phonons are collective atomic vibrations in crystals that govern many physical phenomena ranging from electrical and thermal transport to...
Click to know more

MT 180: une doctorante UCLouvain sur le podium!

Maëlle Bottin a décroché une superbe deuxième place à la finale internationale du concours Ma Thèse en 180 secondes, qui se déroulait ce 5...
Click to know more

Prof. Yann Garcia contributed to a Wiley-VCH book on...

Prof. Yann Garcia, in collaboration with Prof. Junhu Wang and Prof. Tao Zhang, director of the Mössbauer Effect Data Center from the Dalian...
Click to know more

Modeling symmetric and defect-free carbon schwarzites...

Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However,...
Click to know more

Electronic Properties of Functionalized Diamanes for...

Ultrathin diamond films, or diamanes, are promising quasi-2D materials that are characterized by high stiffness, extreme wear resistance, high...
Click to know more