Chemists make the unimaginable possible in crystalline materials discovery
https://phys.org/news/2022-12-chemists-unimaginable-crystalline-materials-discovery.html
https://phys.org/news/2022-12-chemists-unimaginable-crystalline-materials-discovery.html
phys.org
Chemists make the unimaginable possible in crystalline materials discovery
The world's best artists can take a handful of differently colored paints and create a museum-worthy canvas that looks like nothing else. They do so by drawing upon inspiration, knowledge of what's been ...
Psi4 v 1.7 is available
The open-source quantum chemistry package Psi4 is now available to download! 😊
https://psicode.org/posts/v17/
The open-source quantum chemistry package Psi4 is now available to download! 😊
https://psicode.org/posts/v17/
psicode.org
v1.7 — December 2022 | Posts
Documentation Installers Source Release Notes Advertised Version: 1.7 Continuous Version: 1.7 Release Date: 6 Dec 2022 NYI Documentation: https://psicode.org/psi4manual/1.7.0/ Availability: Public, GitHub source, CMake build, NYI Conda binary installers Span:…
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Trinitroaromatic Salts as High-Energy-Density Organic Cathode Materials for Li-Ion Batteries
👌 explosion engine at its finest!
https://pubs.acs.org/doi/full/10.1021/acsami.2c18433
👌 explosion engine at its finest!
https://pubs.acs.org/doi/full/10.1021/acsami.2c18433
OPEN ACCESS
(Review) - Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
https://wires.onlinelibrary.wiley.com/doi/10.1002/wcms.58
(Review) - Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
https://wires.onlinelibrary.wiley.com/doi/10.1002/wcms.58
Wiley Interdisciplinary Reviews
Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atoms
The development of Møller–Plesset perturbation theory (MPPT) has seen four different periods in almost 80 years. In the first 40 years (period 1), MPPT was largely ignored because the focus of quantu...
Møller_and_Plesset_1934_Note_on_an_Approximation_Treatment_for_Many.pdf
259.4 KB
The classic 1934 MP2 paper by Chr. Møller and M. S. Plesset
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“A Big Deal” – Physicists Solve 20-Year Mystery of Stable Chiral Nanostructures
https://scitechdaily.com/a-big-deal-physicists-solve-20-year-mystery-of-stable-chiral-nanostructures/
https://scitechdaily.com/a-big-deal-physicists-solve-20-year-mystery-of-stable-chiral-nanostructures/
SciTechDaily
“A Big Deal” – Physicists Solve 20-Year Mystery of Stable Chiral Nanostructures
Researchers have finally succeeded in building a long-sought nanoparticle structure, opening the door to new materials with special properties. Alex Travesset does not have a sparkling research lab stocked with the most cutting-edge instruments for probing…
Hi!
The year is coming to an end, and we’d like to thank the almost 1400 members of this group. It is amazing to know that so many people could gather around a topic as challenging (and fun) as computational chemistry. We do hope to have shared valuable information and helped you connect to new colleagues and friends.
For the next year, we have plans to keep going and, hopefully, find more people to help take care of the Telegram group. As this is a work of love, there is no money involved and since we are all extremely busy, the tasks are dealt with only in our spare time. So, if in 2023 you’d like to lend a helping hand with moderation and/or posting content, please write an email to compchemgrp@protonmail.com with a short presentation and your ORCiD link.
Cheers!
The year is coming to an end, and we’d like to thank the almost 1400 members of this group. It is amazing to know that so many people could gather around a topic as challenging (and fun) as computational chemistry. We do hope to have shared valuable information and helped you connect to new colleagues and friends.
For the next year, we have plans to keep going and, hopefully, find more people to help take care of the Telegram group. As this is a work of love, there is no money involved and since we are all extremely busy, the tasks are dealt with only in our spare time. So, if in 2023 you’d like to lend a helping hand with moderation and/or posting content, please write an email to compchemgrp@protonmail.com with a short presentation and your ORCiD link.
Cheers!
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Computational and Quantum Chemistry pinned «Hi! The year is coming to an end, and we’d like to thank the almost 1400 members of this group. It is amazing to know that so many people could gather around a topic as challenging (and fun) as computational chemistry. We do hope to have shared valuable information…»