ULTRA-PK

ULTRAPK aims to unravel the origin of nonequilibrium phenomena in perovskite materials suitable for solar cell applications. Funded by the European Union.

[ULTRA-PK @ULTRA2DPK]

Electron-phonon coupling calculation in halide perovskites: problem solved https://t.co/wlbyOtTNsH

[ULTRA-PK @ULTRA2DPK]

Roadmap for electronic structure calculations in halide perovskites: https://t.co/9JrWDOPqGY

[Marios Zacharias @MariosZacharias]

New paper out https://t.co/zcR1MoaPP8: Ab initio computation of Nuclear Quadrupolar Resonance (NQR) in halide perovskites through locally disordered networks @MSCActions @ULTRA2DPK

[Marios Zacharias @MariosZacharias]

https://t.co/bYXZQOg5lu Toward accurate and efficient modelling of complex halide perovskites structures through DFTB, @MSCActions, @ULTRA2DPK

[Marios Zacharias @MariosZacharias]

@ULTRA2DPK @MSCActions

[Marios Zacharias @MariosZacharias]

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

[Marios Zacharias @MariosZacharias]

Amazing to present my research at @USC and @UCBerkeley and interact with top condensed matter physics scientists at @USC. @MSCActions , @ULTRA2DPK

[Marios Zacharias @MariosZacharias]

Check this amazing work reporting evidence for exciton-polaron formation in 2D halide perovskites: https://t.co/AdWHH38gXd

[Marios Zacharias @MariosZacharias]

New paper out on phonon-induced effective mass renormalization in metal halide perovskites: https://t.co/8sHwllXrxx

[FHI-aims @fhi_aims]

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! 🚀

[ULTRA-PK @ULTRA2DPK]

@MariosZacharias excited to give talks Stony Brook and Boston universities ! An @MSCActions experience combined with MRS conference

[ULTRA-PK @ULTRA2DPK]

Proud to participate in this world class conference #msca #materialsscience #peovskites @MSCActions

[Marios Zacharias @MariosZacharias]

Exited to share insights on anharmonicity and electron-phonon coupling in halide perovskites @MSCActions, #emlem23, #perovskites, #anharmonicity, #elph https://t.co/QvEkqJEw2D

[Marios Zacharias @MariosZacharias]

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

[Marios Zacharias @MariosZacharias]

New paper out: Anharmonic lattice dynamics made simple https://t.co/IIOIGBbdzD @MSCActions @ULTRA2DPK @INSA_Rennes @TACC @EU_Commission @InstUnivFr

[ULTRA-PK @ULTRA2DPK]

MSCA awarded @INSA_Rennes
https://t.co/AkmPvBfFGY

[Marios Zacharias @MariosZacharias]

Check our new simple A-SDM approach to treat anharmonicity: https://t.co/gJDKpajD7i only two configurations might be enough