Interesting #preprint on #preprints (via @oatp):
Richter, F. C., Gea-Mallorquí, E., Ruffin, N., & Vabret, N. (2023). The Preprint Club – a cross-institutional, community-based approach to peer reviewing. bioRxiv. https://doi.org/10.1101/2023.01.04.522570

Interested in #DFT modelling of perovskites? Or in #OpenSource #CompChem workflows in used in #MaterialsScience? 💻 ⚛️

Then read our latest #Preprint, where we discuss getting reasonable starting structures, choosing an appropriate DFA using #benchmarking, and finally look at the defect-induced phase transition in LaMnO3!

https://doi.org/10.26434/chemrxiv-2023-tjt21

#CompChem #Chemiverse #ChemToots @chemistry