Vous l’avez sûrement remarqué : notre boutique se pare d’un tout nouveau look frais et moderne ! Notre nom, logo et site ont été repensés, mais rassurez-vous : nous restons la même librairie et papeterie que vous connaissez et appréciez.
Curieux·euse de découvrir l’histoire derrière notre nouveau style ?
Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials
The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training
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