Výsledky vyhľadávania
  1. pred 15 hodinami

    Congratulations to Prof. Martin Head-Gordon, who has won the 2020 Schrödinger Medal of WATOC (World Association of Theoretical and Computational Chemists)!

    1 reply 15 Retweetov 68 Tweetov sa páčilo
  2. pred 14 hodinami

    Truly deserved and about time.

    Congratulations to Prof. Martin Head-Gordon, who has won the 2020 Schrödinger Medal of WATOC (World Association of Theoretical and Computational Chemists)!
    1 Retweet 15 Tweetov sa páčilo
  3. pred 30 minútami

    Michael Herbst from CERMICS is finishing things off for this morning session with DFTK and floating point precision in quantum chemistry

    1 Tweet sa páčil
  4. pred 1 hodinou

    Things are going to get serious meeting with Mathieu Lewin from Paris Dauphine who’s going to introduce the quantum N-body problem in Mathematics

    1 Retweet 3 Tweety sa páčili
    Zobraziť toto vlákno
    Zobraziť toto vlákno
  5. pred 13 hodinami

    First year Maddie is giving her first Snyder group meeting presentation, a refresher on QM and some useful results with efficient use of computational resources. – v Northwestern University

    7 Tweetov sa páčilo
  6. pred 2 hodinami

    Congratulations to Julien Toulouse who was awarded the Annual Medal of the International Academy of Quantum Molecular Science 2019

    6 Retweetov 14 Tweetov sa páčilo
  7. pred 2 minútami

    An interesting article just published in our Methods section for those who like their with a dash of - Predicting HSE band gaps from PBE charge densities via neural network functionals

  8. pred 1 hodinou

    Interesting article on calculating band-gaps in periodic systems with meta-GGA functionals

    1 Retweet 3 Tweety sa páčili
  9. pred 2 hodinami

    The first meeting of the is running in Lille.

    1 Tweet sa páčil
  10. pred 3 hodinami

    Not using iochem-BD yet?

    1 Tweet sa páčil
  11. pred 3 hodinami

    An interesting bit of work just published in Electronic Structure presents a new computational method for quantum electron-nuclear dynamic simulations combining path integral nuclear dynamics and real-time TDDFT -

    2 Retweety 2 Tweety sa páčili
  12. pred 3 hodinami

    Next is Miquel HUIX-ROTTLANT (ICR, Marseille) who’s going to tell how to use DFT for excited states. ⚡️☀️

    1 Retweet 3 Tweety sa páčili
  13. pred 16 hodinami

    Our submission system for SAMPL7 stage 3 (selecting new potential PHIP2 binders for crystallography!) is now accepting uploads.

    2 Retweety 2 Tweety sa páčili
  14. pred 17 hodinami

    An excited state managing molecular design platform of blue thermally activated delayed fluorescence emitters by π-linker engineering

    1 Tweet sa páčil
  15. pred 18 hodinami

    💯💯💯 As is any method, really. And same way your word processor can autocorrect something incorrectly, your compchem methods can also make mistakes!

    AI is to drug discovery what a word processor is to writing a story. Speeds up the process but you still “old fashioned intelligence” to write something, editors (reviewers, FDA) to approve it and people (pharma, insurance etc) to buy it.
    1 Retweet 2 Tweety sa páčili
  16. pred 18 hodinami

    We're working hard to make conversions easy

    2 Retweety 2 Tweety sa páčili
  17. pred 19 hodinami

    oh, that's good to know

    1 Retweet 14 Tweetov sa páčilo
  18. pred 20 hodinami

    Emmanuel Giner at the meeting presenting selecting CI methods!

    2 Retweety 9 Tweetov sa páčilo
  19. pred 20 hodinami

    The seminal meeting of the is under way! Michel Caffarel from is starting the hostilities with a general introduction on the N-body problem in .

    3 Retweety 15 Tweetov sa páčilo
  20. 8. 1.

    An exploration of how well the HSE hybrid functional can be tuned for defect calculations in layered materials, particularly in the transition from bulk to monolayer

    4 Retweety 8 Tweetov sa páčilo

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