The original 1964 paper by Hohenberg and Kohn that gave birth to DFT

This bot includes LibGen (for books) and SciHub (for papers). Give it a try: @libgen_scihub_bot

Watch "Intro to DFT - Day 2: Density-functional practice - Nicola Marzari" on YouTube
https://youtu.be/6tLx--alUZ8

First crystal structure of bleach in its 200-year history | Research | Chemistry World
https://www.chemistryworld.com/news/first-crystal-structure-of-bleach-in-its-200-year-history/4014173.article

MolAR: Molecular Augmented Reality
https://mtzgroup.github.io/molar/

The dos and don’ts of machine learning research – TechTalks
https://bdtechtalks.com/2021/08/19/machine-learning-research-pitfalls/

Artificial photosynthesis technology emerging
https://phys.org/news/2021-08-artificial-photosynthesis-technology-emerging.html

Physicists Create a Bizarre ‘Wigner Crystal’ Made Purely of Electrons
n 1934, Eugene Wigner, a pioneer of quantum mechanics, theorized a strange kind of matter — a crystal made from electrons. The idea was simple; proving it wasn’t. Physicists tried many tricks over eight decades to nudge electrons into forming these so-called Wigner crystals, with limited success. In June, however, two independent groups of physicists reported in Nature the most direct experimental observations of Wigner crystals yet.
Article

Cambridge Cheminformatics Meeting - 1 Sep, on Zoom, free, open to all

Dear All,

I would like to announce our next Cambridge Cheminformatics Meeting on 1 September 2021, at 4pm UK time, and the event will be held as usual on Zoom, free, and open to all.

This is part of a regular series which we have organized for about 10 years now, four times per year, and further information about both this event, and the general series, can be found at

http://c-inf.net/

On this occasion the Cambridge Cheminformatics Meeting will feature the following topics and speakers:

Programme

"Computational Prediction of Allosteric Sites in GPCRs"
Irina Tikhonova, Queen's University Belfast
https://pure.qub.ac.uk/en/persons/irina-tikhonova

"DECIMER: Deep Learning for Chemical Image Recognition"
Chris Steinbeck, University of Jena
https://cheminf.uni-jena.de/
https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00469-w

"Probabilistic Random Forests for Target Prediction Consider Experimental Uncertainty"
Marianna Trapotsi and Lewis Mervin
University of Cambridge and AstraZeneca
https://chemrxiv.org/engage/chemrxiv/article-details/60c75862bdbb897fa4a3ad59

For registration please visit https://zoom.us/meeting/register/tJEtcuysqTojEtKQhtT5zh5bhk9tSIJtp19K.

In case you are also interested in future events please let me know directly, and I am happy to add you to our (low-volume; ca one email per month) mailing list of the Cambridge Cheminformatics Newsletter, which also includes general information about events and vacancies in our field (see http://www.DrugDiscovery.NET for previous editions of the newsletter).

Everyone is welcome to join in, and looking forward to seeing you on 1 September!

Best wishes,
Andreas

No more worrying about nomenclature – AI will tell you what that chemical is called | Research | Chemistry World
https://www.chemistryworld.com/news/no-more-worrying-about-nomenclature-ai-will-tell-you-what-that-chemical-is-called/4014170.article

Introduction to Molecular Dynamics Simulation