I asked #chatgpt to write its version of the infamous #DFT song based on "Let it be". It produces a nice and short variation of the original lyrics (https://openscholar.huji.ac.il/sites/default/files/elikraisler/files/dft_song.pdf) :)

Another paper published, this time in ACS Energy Letters (https://doi.org/10.1021/acsenergylett.2c02351)! Thea Petrocelli (former Community College Intern) and I used density functional theory to understand the decomposition of lithium hexafluorophosphate (LiPF6) in Li-ion batteries. We challenge the conventional assumption that water is to blame and instead point to rapid chemical reactions with carbonates like Li2CO3!

@chemistry @compchem #compchem #battery #electrochemistry #dft #li

RT @bhkenlo@twitter.com

Electronic and Structural Variations of a Nickel(0) N-Heterocyclic Phosphenium Complex in Comparison to Group 10 Analogues https://pubs.acs.org/doi/10.1021/acs.inorgchem.2c03302#.Y316FI-C_aE.twitter Thomas and co-workers @InorgChem@twitter.com #nickel #NHP #Group10 #reactivity #planar #pyramidal #DFT #CATalysis #meow

🐦🔗: https://twitter.com/bhkenlo/status/1595231521497001984

Just out in #NatureCommunications, we show how to #MachineLearn a general Hohenberg-Kohn theorem for #ExcitedStates https://www.nature.com/articles/s41467-022-34436-w
#DFT