LCBC EPFL (@lcbc_epfl) 's Twitter Profile
LCBC EPFL

@lcbc_epfl

Laboratory of Prof. Ursula Röthlisberger @EPFL. DFT, ab initio MD, QM/MM simulations, photovoltaic materials and biological systems. Student-run account.

ID: 1357270495775907840

linkhttps://www.epfl.ch/labs/lcbc/ calendar_today04-02-2021 10:12:02

34 Tweet

237 Followers

95 Following

LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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

Our work on the origin of the asymmetric photoluminescence spectra of CsPbBr3 led by alumna Ariadni now on the Supp. Cover of <a href="/JPhysChem/">The Journal of Physical Chemistry</a> Letters. Work in collab with <a href="/lpi_epfl/">Laboratory of Photonics and Interfaces</a>.  Check out the paper here: pubs.acs.org/doi/10.1021/ac… <a href="/ACS4Authors/">ACS for Authors</a>
Paramvir Ahlawat (@ahlawatparamvir) 's Twitter Profile Photo

#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…

Paramvir Ahlawat (@ahlawatparamvir) 's Twitter Profile Photo

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…

LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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

LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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

LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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…

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  <a href="/LPI_EPFL/">Laboratory of Photonics and Interfaces</a> <a href="/EPFL_chem_tweet/">EPFL Chemistry</a> nature.com/articles/s4146…
LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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…

Our account on recent advances in first-principles based molecular dynamics is now published in Acc. Chem. Res. <a href="/ACSPublications/">ACS Publications</a>  with contributions from François, <a href="/JuVillard/">Justin Villard</a> and Slava #compchem doi.org/10.1021/acs.ac…
CECAM (@cecamevents) 's Twitter Profile Photo

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.

It's day 2 of the CECAM School "Multiscale Molecular Dynamics with MiMiC" in CECAM-HQ, <a href="/EPFL_en/">EPFL</a> !
The participants are now listening to @foeroyingur's lecture on Advanced topics in QM/MM before enjoying a sunny lunch break.
Dominik Kubicki (@dominikjkubicki) 's Twitter Profile Photo

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…

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…
LCBC EPFL (@lcbc_epfl) 's Twitter Profile Photo

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…

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