Sampreeti Bhattacharya

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Sampreeti Bhattacharya

Sampreeti Bhattacharya

@SampreetiB

Postdoc researcher @PNNL Grad-@UNCChapelHill @IITKanpur. Latest Research 👉 https://t.co/JeSfLkbY84

North Carolina, USA Katılım Kasım 2019
433 Takip Edilen86 Takipçiler
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Sampreeti Bhattacharya
Sampreeti Bhattacharya@SampreetiB·
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…
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FHI-aims
FHI-aims@fhi_aims·
🎉 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…
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Paesani Lab
Paesani Lab@PaesaniLab·
🚀 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
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Sampreeti Bhattacharya
Sampreeti Bhattacharya@SampreetiB·
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…
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ROHIT KUMAR MAURYA
ROHIT KUMAR MAURYA@rohitmaurya96·
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…
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Sampreeti Bhattacharya
Sampreeti Bhattacharya@SampreetiB·
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…
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Mercouri Kanatzidis
Mercouri Kanatzidis@MercouriK·
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…
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Mercouri Kanatzidis
Mercouri Kanatzidis@MercouriK·
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…
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Science Magazine
Science Magazine@ScienceMagazine·
A new #ScienceReview summarizes the fundamentals and discusses the future directions of non-Abelian physics in light and sound. scim.ag/659
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Sampreeti Bhattacharya
Sampreeti Bhattacharya@SampreetiB·
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.
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Air India
Air India@airindia·
@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.
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Gaurav Mitra
Gaurav Mitra@Gaurav6032·
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!
Sampreeti Bhattacharya@SampreetiB

@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 .

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UNC Graduate School
UNC Graduate School@UNC_GradSchool·
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
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