NEWS
January 11, 2024
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 December 21, 2023
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 December 18, 2023
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 November 22, 2023
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 November 14, 2023
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 October 18, 2023
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 octobre 06, 2023
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 October 02, 2023
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 September 15, 2023
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 August 09, 2023
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...
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