Sampreeti Bhattacharya

Happy to share our latest work and the last chapter from my thesis. Proton Quantum Effects on Electronic Excitation in Hydrogen-Bonded Organic Solid: A First-Principles Green’s Function Theory Study | The Journal of Physical Chemistry Letters pubs.acs.org/doi/10.1021/ac…

🎉 Happy new FHI-aims release day 🎉 Version 260331 is now available, with a huge amount of changes inside, and over 25 contributors putting new code into this version. A huge thank you to everyone! You can see the list of changes & contributors here: fhi-aims.org/uploads/docume…

🚀 Big news from our group: #MBX is officially on its way into #LAMMPS! 🎉 👉 github.com/lammps/lammps #MBX is already available in the #LAMMPS *develop* branch on #GitHub, and will soon be available on the *release* and eventually *stable* branches. If you want to try out the development version now, we have instructions on our Google Group: groups.google.com/u/1/g/mbx-user… What this means (and why it’s exciting): ✅ #MBX is becoming an official #LAMMPS package → easy installation at build time like any other package. ✅ Seamless integration with the #LAMMPS ecosystem → you can keep using your standard simulation protocols (NVE/NVT/NPT, constraints, etc. via #LAMMPS “fix” commands, not yet the ELECTRODE package) while running available #datadriven #manybody potentials powered by #MBX (see full list at mbxsimulations.com/tutorials/pefs…). ✅ Expanded and improved documentation at docs.lammps.org/latest/pair_mb…. Stay tuned for further developments and new #datadriven #manybody potentials! 🔥 Congratulations to the #MBX team! @UCSanDiego @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD

Excited to share one of my last PhD projects! We tackle finite-size effects in systems with high dof (e.g. HOIPs) using ML potentials + structural descriptors to analyze dynamic SOC in large supercells. Grateful to Kanai Lab and my mentee! 🙌 🔗 pubs.aip.org/aip/cpr/articl…

@rohitmaurya96 congratulations

Happy to share our recent publication in JMS: Unravelling molecular interactions in various alcohol-water binary mixtures using femtosecond laser-induced thermal lens spectroscopy.Special Thanks to Prof. D. Goswami, Dr.Amit Sir and Subhajit. sciencedirect.com/science/articl…

Excited to share our new work on BSE@GW Prediction of Charge Transfer Exciton in Molecular Complexes: Assessment of Self-Energy and Exchange-Correlation Dependence: Efforts to minimize DFA dependency. | The Journal of Physical Chemistry A @JPhysChem pubs.acs.org/doi/full/10.10…

Hybrid organic–inorganic perovskites: New compound fuses Ruddlesden–Popper & Dion–Jacobson perovskites into a remarkable single structure. If we can learn to mix and match different motifs we create tailor-made optoelectronic materials. pubs.acs.org/doi/full/10.10…

Why are FASnI3-xBrx unsuitable for solar cells? Hidden complexity in FASnI3-xBrx: halide mixing impacts more than bandgap. From lone pair expression in Sn2+ expect unexpected phase behaviors and photoluminescence quenching. Is FASnBr3 a pseudoperovskite?pubs.acs.org/doi/full/10.10…

Late update. Thanks for giving the opportunity to present my work on "lanthanide richness" (sciencedirect.com/science/articl…) at Graduate Student Recognition Celebration. @UNC_GradSchool @GPSGatUNC

A new #ScienceReview summarizes the fundamentals and discusses the future directions of non-Abelian physics in light and sound. scim.ag/659

@RCSubhajit @chm_iiserb @BiswasLabJNC @kanishkabiswas @mpi_CPfS @claudia_felser Congratulations...

I am thrilled to share that I have joined in the Department of Chemistry, IISER Bhopal @chm_iiserb as Assistant Professor. I'm so thankful for the training and support I received during my Ph.D. in @BiswasLabJNC @kanishkabiswas and postdoc in @mpi_CPfS @claudia_felser

Just out of a meeting where the professor thinks an overlap matrix has nothing to do with physics. All this while I imagined Theory, method and computation are all intertwined. One compliments the other. Hmm...! Interesting as they say.

@airindiain Please do so asap

@SampreetiB Dear Ms. Bhattacharya, Apologies for the inconvenience. We are sharing your details once again with our concerned team to arrange a call-back to resolve your concern.

This is absolutely ridiculous! You guys are pathetic @airindiain Please provide us with an alternate flight to reach Delhi from Kolkata because we have a connecting flight from Delhi to Newark!

@airindiain We @Gaurav6032 have a flight on Jan 30th from CCU-DEL followed by a flight to Newark. I get a mail today the first flight from CCU-DEL is cancelled without any reasoning. Please refund immediately @airindiain @Gaurav6032 @JM_Scindia .

Here is the learning curve...Thanks a lot....@UNC_GradSchool

@ajnirp This looks like a painting. Tried sketching this @ajnirp ?

TODAY! It's not too late to register for the Three Minute Thesis competition. Join in, watch this year's top 10 videos, and vote for the people's choice award: unc.live/3qg7L8Z

Join me and other finalists for 3MT thesis competition. Don't forget to register at unc.zoom.us/webinar/regist… please be there on Wednesday 5-6pm EST