Ari Chakraborty

We have an open search for tenure-track position in computational chemistry at Syracuse University. #compchem #compchemjobs Additional details as: sujobopps.com/postings/89006

@DePrinceFSU @Foley_lab ooooh! you definitely don't want to do that. Let the sleeping bib lie.

@Foley_lab I just sat in ~/Downloads with rm *.bib for two minutes but never executed it because I'm a coward.

Ahhhhh! I do not understand why ACS journals don't provide indirect imports for bibtex. Who wants to download a file? It takes me 8 clicks to get the stupid file and open it.

Now here is a topic that I can really sink my teeth into. :) The guy is completely right.

@toddjmartinez @OpenAcademics Very cool! Alexa, order celebratory beer after my SCF converges.

Get ready to experience voice-controlled quantum chemistry! ChemVox performs real-time quantum chemistry calculations, returning results in seconds. You can use it on your mobile phone or Alexa capable devices: amzn.to/2Ds2G7s #chemtwitter #compchem @openacademics #Alexa

@PiecuchPiotr @pfau Hahaha.... that first statement did make me laugh and I almost spilled my coffee. :)

@pfau Cool, chemical accuracy in Hartree-Fock calculations! (I have been wasting my life solving the many-electron correlation problem). These misleading statements and lack of understanding how much can already be done with highly correlated levels using polynomial steps is puzzling.

Love to use my multi-million dollar quantum computer to...*checks notes*...run a low-accuracy quantum chemical calculation that takes a few seconds on a laptop. ai.googleblog.com/2020/08/scalin…

All about Dyson orbitals. All in one place!

@JVOrtizB Loved reading it!

This Perspective just published in the Journal of Chemical Physics invites readers to think about molecular electronic structure in terms of Dyson orbitals. Dyson-orbital concepts for description of electrons in molecules aip.scitation.org/doi/10.1063/5.…

Very happy that our excited state paper is finally out in JCTC! Congratulations to graduate student Peter McLaughlin.

@DoranBennett @JoshuaSchrier I consider it to extremely important and I include them in my graduate level pchem course. It illustrates the complexity of the physical world beyond neatly arranged electronic configurations. As pchem students, I expect them to know understand and explain D1 and D2 lines in Na.

#Chemtwitter Serious question: How important is it for graduate PChem students to learn about atomic term symbols? I loved them but have not used them since leaving gas phase problems. Maybe this is a topic they should teach themselves if they need it? @JoshuaSchrier - opinion?

Evidence of Skewness and Sub-Gaussian Character in Temperature-Dependent Distributions of One Million Electronic Excitation Energies in PbS Quantum Dots pubs.acs.org/doi/10.1021/ac…