
DAVID SM
@davidsmhj
Computational Chemist and Musician... never stop learning 😎 Grad Student @ University of Manitoba
ID: 3123164747
28-03-2015 06:45:17
403 Tweet
64 Followers
203 Following

I have a few EA FC codes. I want to give them away to you fans as a thank you for all the support that you constantly give me. It doesn't go unnoticed at all. Just give this a retweet or a like and I’ll pick at random through the lists, and message a few of you guys with a code.

💻🔍Our latest work from the Brown group (Alex Brown)! We've explored the photophysical properties of 2PA, uncovering top-performing, previously unexplored, DFT functionals for 2PA.#compchem #excitedstates pubs.acs.org/doi/10.1021/ac…

Relativistic DFT study using ADF on uranium bis(acyl)phosphide complexes reveals that the ligand is redox active towards U(III) but not U(IV). Out now in Inorganic Chemistry doi.org/10.1021/acs.in… #compchem #DFT




🥇Best Contributed Talk award 🥇 : Kyle Bryenton Dal Chem for “Adding Correlation to the Exchange-hole Dipole Moment Model” Thx to our sponsors AIP Publishing & Royal Society of Chemistry 👏👏👏


🥇Best Poster award 🥇: Vivek Das UNB Chemistry Fredericton for “Fermionic Molecular Dynamics”. Thx to our sponsors AIP Publishing & Royal Society of Chemistry 👏👏👏


🥈Best Poster award (Runner-Up)🥈: Jun Luo Université d'Ottawa | University of Ottawa for “MEPO-ML: A Robust Graph Attention Network Model for Rapid Generation of Partial Atomic Charges in Metal-Organic Frameworks” Thx to our sponsors Canadian Journal of Chemistry & Springer Publishing 👏👏👏


🥈Best Poster award (Runner-Up)🥈: David Samuvel Michael University of Manitoba for “Charge transfer excitations with constricted variational density functional theory as an alternative to TDDFT: A benchmark study”. Thx to our sponsors Canadian Journal of Chemistry & Springer Publishing 👏👏👏



A 2-year postdoc position in computational chemistry & ML is available in our group at Université PSL (more info about the project below). Applications can be submitted through the CNRS job portal: emploi.cnrs.fr/Offres/CDD/UMR…. Deadline: Sept 24th. Retweets are appreciated! #chempostdoc


