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Our work on the origin of the asymmetric photoluminescence spectra of CsPbBr3 led by alumna Ariadni now on the Supp. Cover of The Journal of Physical Chemistry Letters. Work in collab with Laboratory of Photonics and Interfaces. Check out the paper here: pubs.acs.org/doi/10.1021/ac… ACS for Authors

#Perovskite solar cell with world record efficiency (25.21%, bromide free)🥳 Molecular simulations revealing insights, glad to collaborate with prof. Jin Young Kim, Anders Hagfeldt & Michael Grätzel Laboratory of Photonics and Interfaces EPFL Chemistry EPFL 📢 nature.com/articles/s4158…

Check out our review on organic spacers in 2D perovskites out now in HelvChimActa.

What is phase transition pathway+mechanism from PbI₂ to #perovskite? Check our combined molecular simulations, 𝘪𝘯-𝘴𝘪𝘵𝘶 X-ray and Raman study of two-step process enabling low-temperature synthesis of phase-pure α-FAPbI₃ thin films EPFL Chemistry advances.sciencemag.org/content/7/17/e…

A host-guest complexation strategy for controlling FAPbI3-based perovskites🔶 for photovoltaics💡Nature Communications through great collaborative efforts Laboratory of Photonics and Interfaces EPFL Basic Sciences with Hong Zhang @lyndon_emsley LCBC EPFL Universität Tübingen & others, with support Swiss National Science Foundation ➡️nature.com/articles/s4146…

We are looking for a PostDoc. Join us!

New #compchem preprint from the lab on a MTS algorithm for trajectory surface hopping simulations in CPMD chemrxiv.org/engage/chemrxi…

We are happy to have contributed DFT and classical MD simulations to this work on revealing the molecular mechanism of polyiodides converting Pb clustering #defects into high efficiency #perovskite solar cells with Laboratory of Photonics and Interfaces

Check out our new collaborative work on a co-solvent dilution strategy for cost-effective production of #perovskite solar mini modules. Ab initio molecular simulations reveal the effects of different solvents Laboratory of Photonics and Interfaces EPFL Chemistry nature.com/articles/s4146…

Our account on recent advances in first-principles based molecular dynamics is now published in Acc. Chem. Res. ACS Publications with contributions from François, Justin Villard and Slava #compchem doi.org/10.1021/acs.ac…

We collaborated with many great scientists* on this article discussing of mechanochromism in layered hybridge perovskites. ⤵️ onlinelibrary.wiley.com/doi/abs/10.100… *Including Dr. J⌬vana V. Milic Smart Energy Materials AMI @brunoehrler Loreta A. Muscarella Algirdas Ducinskas LCBC EPFL Nicola Casati Laboratory of Photonics and Interfaces

Come join us in Lausanne and learn about MiMiC. #compchem

It's day 2 of the CECAM School "Multiscale Molecular Dynamics with MiMiC" in CECAM-HQ, EPFL ! The participants are now listening to @foeroyingur's lecture on Advanced topics in QM/MM before enjoying a sunny lunch break.

Well done @adimishra1729 ! #NMR take on the incorporation of dimethylammonium into black perovskite CsPbI3. Does it incorporate? Only if you make it in a very specific way. #mechanochemistry and antisolvent-assisted route give strikingly different results. pubs.acs.org/doi/10.1021/ac…

Check out Andrea Levy and Simon's work on predicting the location of transition metal ions in protein structures ⬇️

Check out the latest work by Justin Villard Murat Kılıç on finding realistic low-lying peptide structures using surrogate based genetic algorithm optimization and DFT doi.org/10.26434/chemr…