Science Talks Lecture 69: First Principle Computational Chemistry: From ...
https://youtube.com/watch?v=dx_quy2v7TU&feature=share
https://youtube.com/watch?v=dx_quy2v7TU&feature=share
YouTube
Science Talks Lecture 69: First Principle Computational Chemistry: From molecules to Materials
ACS Science Talks features a series of lectures by many researchers in different diverse fields of chemistry from around the world. In this video, Professor Sourav Pal will give a presentation on First Principle Computational Chemistry: From molecules to…
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How Quantum Mechanics Predicts All The Elements
https://youtube.com/watch?v=tq_y1qOmUBE&feature=share
https://youtube.com/watch?v=tq_y1qOmUBE&feature=share
YouTube
How Quantum Mechanics Predicts All The Elements
Signup for your FREE trial to Wondrium here: http://ow.ly/dSdf30rNQ6w - Be sure to check out, "Understanding the Periodic Table" by Prof. Ron Davis - I highly recommend it!
References for further study:
Chart of shell structure of all atoms: https://tin…
References for further study:
Chart of shell structure of all atoms: https://tin…
Study discovers pairing of electrons in artificial atoms, a quantum state predicted more than 50 years ago
https://phys.org/news/2023-08-pairing-electrons-artificial-atoms-quantum.html
https://phys.org/news/2023-08-pairing-electrons-artificial-atoms-quantum.html
phys.org
Study discovers pairing of electrons in artificial atoms, a quantum state predicted more than 50 years ago
Researchers from the Department of Physics at Universität Hamburg, observed a quantum state that was theoretically predicted more than 50 years ago by Japanese theoreticians but so far eluded detection. ...
Deciphering the molecular dynamics of complex proteins
https://phys.org/news/2023-08-deciphering-molecular-dynamics-complex-proteins.html
https://phys.org/news/2023-08-deciphering-molecular-dynamics-complex-proteins.html
phys.org
Deciphering the molecular dynamics of complex proteins
Which structures do complex proteins adopt in solution? Konstanz biophysicists answer this question using the example of ubiquitin dimers as well as a new combination of high-resolution NMR spectroscopy ...
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(OPEN ACCESS) - Roadmap on electronic structure codes in the exascale era
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Exascale computing promises to provide immense computing power for electronic structure calculations— but are current codes prepared to take full advantage of the benefits? This paper provides an overview of 14 electronic structure software packages: where they are now, where they plan to be in five years, and how they plan to adapt to the challenges and reap the rewards of new exascale computing infrastructure.
https://iopscience.iop.org/article/10.1088/1361-651X/acdf06
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Exascale computing promises to provide immense computing power for electronic structure calculations— but are current codes prepared to take full advantage of the benefits? This paper provides an overview of 14 electronic structure software packages: where they are now, where they plan to be in five years, and how they plan to adapt to the challenges and reap the rewards of new exascale computing infrastructure.
https://iopscience.iop.org/article/10.1088/1361-651X/acdf06
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Theorists Keep Finding Paths to Superconductivity When Analyzing LK99 | NextBigFuture.com
https://www.nextbigfuture.com/2023/08/theorists-keep-finding-paths-to-superconductivity-when-analyzing-lk99.html
https://www.nextbigfuture.com/2023/08/theorists-keep-finding-paths-to-superconductivity-when-analyzing-lk99.html
NextBigFuture.com
Theorists Keep Finding Paths to Superconductivity When Analyzing LK99 | NextBigFuture.com
Kings College of London and University of Colorado researchers looked at LK99 by going beyond density function theory analysis with a different analytic
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Scientists confirm decades-old theory of non-uniform distribution of electron density in aromatic molecules
https://phys.org/news/2023-08-scientists-decades-old-theory-non-uniform-electron.html
https://phys.org/news/2023-08-scientists-decades-old-theory-non-uniform-electron.html
phys.org
Scientists confirm decades-old theory of non-uniform distribution of electron density in aromatic molecules
Scientists from the Institute of Organic Chemistry and Biochemistry Prague, the Institute of Physics of the Czech Academy of Sciences, and Palacký University Olomouc, have once again successfully uncovered ...
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Atomistica.online – web application for generating input files for ORCA (and others) molecular modelling package made with the Anvil platform
https://atomistica.online/
https://atomistica.online/
atomistica.online
Home - atomistica.online
ATOMISTICA Scientific and commercialSoftware development Choose atomistica solutions Atomistica – Scientific Online and desktop applications for atomistic calculations completely FREE for non commercial academic purposes Atomistica – Commercial Atomistica…
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Scientists synthesize new organometallic 'sandwich' compound capable of holding more electrons
https://phys.org/news/2023-09-scientists-organometallic-sandwich-compound-capable.html
https://phys.org/news/2023-09-scientists-organometallic-sandwich-compound-capable.html
phys.org
Scientists synthesize new organometallic 'sandwich' compound capable of holding more electrons
Organometallic compounds, molecules made up of metal atoms and organic molecules, are often used to accelerate chemical reactions and have played a significant role in advancing the field of chemistry.
Mistranslation of Newton's First Law Discovered after Nearly 300 Years - Scientific American
https://www.scientificamerican.com/article/mistranslation-of-newtons-first-law-discovered-after-nearly-300-years/
https://www.scientificamerican.com/article/mistranslation-of-newtons-first-law-discovered-after-nearly-300-years/
Scientific American
Mistranslation of Newton’s First Law Discovered after Nearly 300 Years
A new interpretation of Isaac Newton’s writings clarifies what the father of classical mechanics meant in his first law of motion
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Researchers propose novel paradigm of metal electron-shuttle catalysis
https://phys.org/news/2023-09-paradigm-metal-electron-shuttle-catalysis.html
https://phys.org/news/2023-09-paradigm-metal-electron-shuttle-catalysis.html
phys.org
Researchers propose novel paradigm of metal electron-shuttle catalysis
Professor Huang Hanmin's research team from the University of Science and Technology of China (USTC) of the Chinese Academy of Sciences (CAS) proposed a new paradigm of metal electron-shuttle catalysis, ...
What's Next in Protein Design? Microsoft Researchers Introduce EvoDiff: A Groundbreaking AI Framework for Sequence-First Protein Engineering - MarkTechPost
https://www.marktechpost.com/2023/09/17/whats-next-in-protein-design-microsoft-researchers-introduce-evodiff-a-groundbreaking-ai-framework-for-sequence-first-protein-engineering/
https://www.marktechpost.com/2023/09/17/whats-next-in-protein-design-microsoft-researchers-introduce-evodiff-a-groundbreaking-ai-framework-for-sequence-first-protein-engineering/
MarkTechPost
What’s Next in Protein Design? Microsoft Researchers Introduce EvoDiff: A Groundbreaking AI Framework for Sequence-First Protein…
Deep generative models are becoming increasingly potent tools when it comes to the in silico creation of novel proteins. Diffusion models, a class of generative models recently shown to generate physiologically plausible proteins distinct from any actual…
OPEN ACCESS
Best-Practice DFT Protocols for Basic Molecular Computational Chemistry
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202205735
Best-Practice DFT Protocols for Basic Molecular Computational Chemistry
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202205735
Wiley Online Library
Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**
Many chemical investigations are supported by routine calculations of molecular structures, reaction energies, barrier heights, and spectroscopic properties. Most of these quantum-chemical calculatio...
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