ULTRAPK aims to unravel the origin of nonequilibrium phenomena in perovskite materials suitable for solar cell applications. Funded by the European Union.
New paper out https://t.co/zcR1MoaPP8: Ab initio computation of Nuclear Quadrupolar Resonance (NQR) in halide perovskites through locally disordered networks @MSCActions @ULTRA2DPK
Check this paper: https://t.co/IfEI50PRJJ. Ultrafast signatures of electron-phonon coupling through a combination of state-of-the-art experiments and theory. @MSCActions, @ULTRA2DPK
We are happy to announce that our work on extremely large hybrid DFT calculations (periodic and non-periodic) is out on arXiV:
"Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms" https://t.co/mrL7vjdgRW
Really, over 30,000 atoms! 🚀
Exited to share insights on anharmonicity and electron-phonon coupling in halide perovskites @MSCActions, #emlem23, #perovskites, #anharmonicity, #elph https://t.co/QvEkqJEw2D
Paper out using A-SDM:
https://t.co/NA4X43WXn5
A paradigm shift in halide perovskites' (HPs) peculiar optical and transport properties. Polymorphism in HPs affects profoundly anharmonic electron-phonon coupling. @g_volo@INSA_Rennes@TACC@ULTRA2DPK @MSCActions @CubePero