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Computational and Quantum Chemistry

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A group dedicated to everything about theoretical and computational/quantum chemistry.
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Computational and Quantum Chemistry

4.01K subscribers

Computational and Quantum Chemistry

Implications of no-free-lunch theorems
https://phys.org/news/2023-06-implications-no-free-lunch-theorems.html

Implications of no-free-lunch theorems

In the 18th century, the philosopher David Hume observed that induction—inferring the future based on what's happened in the past—can never be reliable. In 1997, SFI Professor David Wolpert with his ...

904 views16:16

Computational and Quantum Chemistry

First synthesis of unusual arsenic reagent reveals that it breaks periodic trend | Research | Chemistry World
https://www.chemistryworld.com/news/first-synthesis-of-unusual-arsenic-reagent-reveals-that-it-breaks-periodic-trend/4017553.article

Chemistry World

First synthesis of unusual arsenic reagent reveals that it breaks periodic trend

Electron deficient arsenic intermediate challenges preconceptions of heavy main group elements

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970 views04:33

Computational and Quantum Chemistry

Hand-built caesium-based ‘artificial atoms’ used to create ‘synthetic’ benzene | Research | Chemistry World
https://www.chemistryworld.com/news/hand-built-caesium-based-artificial-atoms-used-to-create-synthetic-benzene/4017567.article

Chemistry World

Hand-built caesium-based ‘artificial atoms’ used to create ‘synthetic’ benzene

Manufactured atoms offer chemists chance to play 'mind games' with matter and change bond order of molecules

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968 views20:33

Computational and Quantum Chemistry

https://phys.org/news/2023-06-reveals-hidden-mechanism-cell-molecules.html

New study reveals a hidden mechanism for controlling a cell's molecules

Fundamentally, life comes down to molecules contacting and binding to other molecules.

949 views10:37

Computational and Quantum Chemistry

https://phys.org/news/2023-06-theoretical-discovery-path-quantum-physics.html

Theoretical discovery: A new path for quantum physics to control chemical reactions

Controlling chemical reactions to generate new products is one of the biggest challenges in chemistry. Developments in this area impact industry, for example, by reducing the waste generated in the manufacture ...

980 views10:36

Computational and Quantum Chemistry

https://www.newscientist.com/article/2378404-chemists-have-solved-a-decades-long-problem-of-bonding-beryllium/

Chemists have solved a decades-long problem of bonding beryllium

Atoms of a metal don't like to bond with one another, but chemists have succeeded in forging a metallic bond between two beryllium atoms

827 views10:22

Computational and Quantum Chemistry

https://phys.org/news/2023-05-emergence-solvated-dielectrons.html

Emergence of solvated dielectrons observed for the first time

Solvated dielectrons are the subject of many hypotheses among scientists, but have never been directly observed. They are described as a pair of electrons that is dissolved in liquids such as water or ...

874 views10:07

Computational and Quantum Chemistry

https://youtu.be/-Y0XL-K0jy0

The Hydrogen Atom, Part 1 of 3: Intro to Quantum Physics

The first of a three-part adventure into the Hydrogen Atom. I'm uploading these in three parts, so that I can include your feedback in the videos as we go along. Sort of like in a lecture when they stop and ask "Does anyone have any questions?". So please…

1K views21:01

Computational and Quantum Chemistry

https://phys.org/news/2023-06-transparent-machine-tool-polymer-discovery.html

With transparent machine learning tool, engineers accelerate polymer discovery

Using the power of prediction, University of Wisconsin–Madison mechanical engineers have quickly discovered several promising high-performance polymers out of a field of 8 million candidates.

1.03K views10:09

Computational and Quantum Chemistry

https://www.sciencenews.org/article/quantum-mechanics-sound-split-phonon

Physicists split bits of sound using quantum mechanics

New experiments put phonons — the tiniest bits of sound — into quantum mechanical superpositions and show they are as weird as other quantum entities.

1.16K views10:23

Computational and Quantum Chemistry

Physicists Have Just Found a Brand New Atomic Nucleus : ScienceAlert
https://www.sciencealert.com/physicists-have-just-found-a-brand-new-atomic-nucleus

Physicists Have Just Found a Brand New Atomic Nucleus

917 views09:21

Computational and Quantum Chemistry

Scientists Predict Never-Before-Seen Crystal Structures With Unexpected Chemistry : ScienceAlert
https://www.sciencealert.com/scientists-predict-never-before-seen-crystal-structures-with-unexpected-chemistry

Scientists Predict Never-Before-Seen Crystal Structures With Unexpected Chemistry

This is completely new.

871 views15:36

Computational and Quantum Chemistry

A New Ultrafast Camera Captures Molecular Dynamics In Cells - Asian Scientist Magazine
https://www.asianscientist.com/2023/07/in-the-lab/a-new-ultrafast-camera-captures-molecular-dynamics-in-cells/

823 views00:00

Computational and Quantum Chemistry

https://phys.org/news/2023-06-single-molecule-electronic-ladder-like-molecules.html

Researchers demonstrate single-molecule electronic 'switch' using ladder-like molecules

Researchers have demonstrated a new material for single-molecule electronic switches, which can effectively vary current at the nanoscale in response to external stimuli. The material for this molecular ...

884 views10:05

Computational and Quantum Chemistry

Perplexity AI - a co-pilot engine powered by GPT 3.5 (free) and GPT 4 (paid)

https://www.perplexity.ai/

Perplexity is a free AI-powered answer engine that provides accurate, trusted, and real-time answers to any question.

863 views11:29

Computational and Quantum Chemistry

https://www.youtube.com/watch?v=RCIz2hdJQy0

Intro to the Quantum Harmonic Oscillator in 9 Minutes #PaCE1

A brief conceptual overview of the quantum harmonic oscillator. Hopefully this video provides some visual intuition for what the quantum harmonic oscillator is all about.

Wikipedia page on the Quantum Harmonic Oscillator:

https://en.m.wikipedia.org/wi…

909 views11:40

Computational and Quantum Chemistry

GAMESS - June 30, 2023 R1 Public Release

A new public release of GAMESS is now available on the distribution server: https://www.msg.chem.iastate.edu/GAMESS/download.html

Release notes are now distributed with the source: $GMS_DIR/RELEASE.md (it is a markdown file - view with a markdown viewer or any text editor).

THE LIST OF NEW FEATURES IS HUGE!

Please use our public issue tracker to report any problems: https://github.com/gms-bbg/gamess-issues

GitHub - gms-bbg/gamess-issues: GAMESS issue tracking

GAMESS issue tracking. Contribute to gms-bbg/gamess-issues development by creating an account on GitHub.

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868 views11:33

Computational and Quantum Chemistry

https://youtu.be/A7yDvA8VQC8

Ch 14: Where does the momentum operator come from? | Maths of Quantum Mechanics

Hello!

This is the fourteenth chapter in my series "Maths of Quantum Mechanics." In this episode, we'll take a look at where the momentum operator really comes from, and we'll discuss how all observables follow a pattern that not many textbooks show. We'll…

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871 views10:12

Computational and Quantum Chemistry

Machine learning enables accurate electronic structure calculations at large scales for material modeling
https://phys.org/news/2023-07-machine-enables-accurate-electronic-large.html

Machine learning enables accurate electronic structure calculations at large scales for material modeling

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research, such as drug design and energy storage. However, the lack of a ...

945 views11:07

Computational and Quantum Chemistry

New hydrodynamic theory helps to understand the correlation of ions
https://phys.org/news/2023-07-hydrodynamic-theory-ions.html

New hydrodynamic theory helps to understand the correlation of ions

In their theoretical work, Dr. Diddo Diddens from Helmholtz Institute Münster of Forschungszentrum Jülich and Prof. Andreas Heuer from the Helmholtz Institute Münster and the Institute of Physical ...

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901 views01:06

Computational and Quantum Chemistry

The 'Most Precise Measurement Yet' of an Electron's Dipole Moment Has Just Been Taken : ScienceAlert
https://www.sciencealert.com/the-most-precise-measurement-yet-of-an-electrons-dipole-moment-has-just-been-taken

The 'Most Precise Measurement Yet' of an Electron's Dipole Moment Has Just Been Taken

It could solve one of the Universe's biggest mysteries.

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899 views17:03