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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

The Potential of Artificial Intelligence in Molecular Dynamics
https://ts2.space/en/the-potential-of-artificial-intelligence-in-molecular-dynamics/

The Potential of Artificial Intelligence in Molecular Dynamics

The Potential of Artificial Intelligence in Molecular Dynamics TS2 SPACE

934 views09:40

Computational and Quantum Chemistry

https://www.nature.com/articles/d41586-023-01708-4

A mental-health crisis is gripping science — toxic research culture is to blame

Nature - With researchers reporting high rates of anxiety and depression, calls are growing to fundamentally change science before it’s too late.

884 views10:37

Computational and Quantum Chemistry

Forwarded from Lets Learn Bio-IT School 🇫🇷🇮🇳

Are you a biologist looking to learn R from scratch?
Then, our upcoming two days international virtual workshop ennoscriptd Introduction to R for Biologists is for you,

🗓 Scheduled on 24-25 June 2023.

》It covers the basics of R programming language, data structures, operators, and control structures.
》You will work with GenomicRanges & Biostrings packages and visualise NGS data with Bioconductor.
》You will also learn how to create publication-quality plots using ggplot2 and utilise Bioconductor packages for data analysis.
》The workshop will include both theory and hands-on sessions, so you will have the opportunity to practice your newly acquired skills.

🎁Benefits:
》Provided with participation certificate
》Recorded videos are provided

👩‍🎓Eligibility:
The program is interdisciplinary * and open to all interested participants with no programming knowledge.

💰Check the flyer for Fee & other details

👨‍💻Register now at our website:
https://www.nyberman.com/home#h.8zbwlts0r6hb

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👍1

1.01K views17:45

Computational and Quantum Chemistry

https://youtu.be/VUfJWuhmygA

Sodium-Potassium Alloy: Blue Solvated Electrons in Water!

The inspiration for this video came from an article in the well-known journal, Applied Chemistry.
https://doi.org/10.1002/anie.201605986
In short, we can observe the blue color of solvated electrons not only when alkali metals are dissolved in liquid ammonia…

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1.17K views10:27

Computational and Quantum Chemistry

‘Almost magical’: chemists can now move single atoms in and out of a molecule’s core
https://www.nature.com/articles/d41586-023-01735-1

‘Almost magical’: chemists can now move single atoms in and out of a molecule’s core

Nature - An explosion of skeletal editing methods to insert, delete or swap individual atoms in molecular backbones could accelerate drug discovery.

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1.12K views21:28

Computational and Quantum Chemistry

World's First X-Ray of a Single Atom Reveals Chemistry on The Smallest Level : ScienceAlert
https://www.sciencealert.com/worlds-first-x-ray-of-a-single-atom-reveals-chemistry-on-the-smallest-level

World's First X-Ray of a Single Atom Reveals Chemistry on The Smallest Level

Oh no! Tiny skeletons!

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1.15K views10:10

Computational and Quantum Chemistry

Physicists develop powerful alternative to dynamic density functional theory
https://phys.org/news/2023-06-physicists-powerful-alternative-dynamic-density.html

Physicists develop powerful alternative to dynamic density functional theory

Living organisms, ecosystems and the planet Earth are, from a physics point of view, examples of extraordinarily large and complex systems that are not in thermal equilibrium. To physically describe non-equilibrium ...

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973 views10:38

Computational and Quantum Chemistry

Scientists develop artificial molecules that behave like real ones
https://phys.org/news/2023-06-scientists-artificial-molecules-real.html

Scientists develop artificial molecules that behave like real ones

Scientists from the Radboud University have developed synthetic molecules that resemble real organic molecules. A collaboration of researchers, led by Alex Khajetoorians and Daniel Wegner, can now simulate ...

1.02K views10:51

Computational and Quantum Chemistry

https://phys.org/news/2023-06-quantum-materials-electron.html

Quantum materials: Electron spin measured for the first time

An international research team has succeeded for the first time in measuring the electron spin in matter—i.e., the curvature of space in which electrons live and move—within "kagome materials," a ...

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860 views10:08

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