Extraction of organic chemistry grammar from unsupervised learning of chemical reactions | Science Advances
https://advances.sciencemag.org/content/7/15/eabe4166
https://advances.sciencemag.org/content/7/15/eabe4166
Science Advances
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
RXNmapper constructs coherent atom-mapping rules from raw chemical reactions using unsupervised training of neural networks.
A graphene system that freezes electrons as the temperature rises
https://phys.org/news/2021-04-graphene-electrons-temperature.html
https://phys.org/news/2021-04-graphene-electrons-temperature.html
phys.org
A graphene system that freezes electrons as the temperature rises
Two teams of researchers have independently found that there exists a certain type of graphene system where electrons freeze as the temperature rises. The first team, with members from Israel, the U.S. ...
Graphene-like boron is stabilized by hydrogen, paving the way for practical applications – Physics World
https://physicsworld.com/a/graphene-like-boron-is-stabilized-by-hydrogen-paving-the-way-for-practical-applications/
https://physicsworld.com/a/graphene-like-boron-is-stabilized-by-hydrogen-paving-the-way-for-practical-applications/
Physics World
Graphene-like boron is stabilized by hydrogen, paving the way for practical applications
Analogue to graphane could be used in batteries and quantum computers
Introduction_to_Graphene_Based_Nanomaterials_From_Electronic_Structure.pdf
26.7 MB
Introduction to Graphene-Based Nanomaterials From Electronic Structure to Quantum Transport by Luis E. F. Foa Torres, Stephan Roche, Jean-Christophe Charlier
Graphene_Nanostructures_Modeling,_Simulation,_and_Applications_in.pdf
14.5 MB
Graphene Nanostructures Modeling, Simulation, and Applications in Electronics and Photonics by Yaser M. Banadaki, Safura Sharifi
Waiting for Quantum Computing? Try Probabilistic Computing
https://spectrum.ieee.org/computing/hardware/waiting-for-quantum-computing-try-probabilistic-computing.amp.html
https://spectrum.ieee.org/computing/hardware/waiting-for-quantum-computing-try-probabilistic-computing.amp.html
IEEE Spectrum
Waiting for Quantum Computing? Try Probabilistic Computing
An engineer channels Galileo to describe a new approach to computing: p-bits
Four-electron transfer is a first for f-element chemistry | Research | Chemistry World
https://www.chemistryworld.com/news/four-electron-transfer-is-a-first-for-f-element-chemistry/4013501.article#/
https://www.chemistryworld.com/news/four-electron-transfer-is-a-first-for-f-element-chemistry/4013501.article#/
Chemistry World
Four-electron transfer is a first for f-element chemistry
Uranium (II) systems shown to effect reduction of azobenzene to yield a bis(imido) uranium (VI) complex
In a first, scientists watch 2D puddles of electrons spontaneously emerge in a 3D superconducting material
https://phys.org/news/2021-04-scientists-2d-puddles-electrons-spontaneously.html
https://phys.org/news/2021-04-scientists-2d-puddles-electrons-spontaneously.html
phys.org
In a first, scientists watch 2D puddles of electrons spontaneously emerge in a 3D superconducting material
Creating a two-dimensional material, just a few atoms thick, is often an arduous process requiring sophisticated equipment. So scientists were surprised to see 2D puddles emerge inside a three-dimensional ...
Metal–organic magnets break records – Physics World
https://physicsworld.com/a/metal-organic-magnets-break-records/
https://physicsworld.com/a/metal-organic-magnets-break-records/
Physics World
Metal–organic magnets break records
Novel lightweight materials have magnetic ordering temperatures and coercivities comparable to commercially available inorganic magnets
Quantum Mechanics Concepts for Self-Study by Ewan Crow.pdf
108.5 KB
Quantum Mechanics Concepts for Self-Study by Ewan Crow
Exotic bond takes computational chemists by surprise | Research | Chemistry World
https://www.chemistryworld.com/news/exotic-bond-takes-computational-chemists-by-surprise/4013547.article
https://www.chemistryworld.com/news/exotic-bond-takes-computational-chemists-by-surprise/4013547.article
Chemistry World
Exotic bond takes computational chemists by surprise
New results could help to solve the dispute around the strange Na-B bond in NaBH3-
Atomic_and_electronic_structure_of_solids_by_Efthimios_Kaxiras_z.pdf
7.1 MB
Atomic and Electronic Structure of Solids - Efthimios Kaxiras
Chemical code used to store Jane Austen quote in plastic molecules | New Scientist
https://www.newscientist.com/article/2275136-chemical-code-used-to-store-jane-austen-quote-in-plastic-molecules/
https://www.newscientist.com/article/2275136-chemical-code-used-to-store-jane-austen-quote-in-plastic-molecules/
New Scientist
Chemical code used to store Jane Austen quote in plastic molecules
It is now possible to store information in the atomic structure of plastic molecules using a hexadecimal code that allows for greater storage density than a binary system
Mathematical physics in theoretical chemistry by Blinder.pdf
3.2 MB
Mathematical Physics in Theoretical Chemistry
A new release of MayaChemTools, an open source collection of command line
noscripts, is now available containing the following Python noscripts based on
Psi4:
o Psi4CalculateEnergy.py
o Psi4CalculatePartialCharges.py
o Psi4CalculateProperties.py
o Psi4GenerateConformers.py
o Psi4PerformMinimization.py
o Psi4VisualizeDualDenoscriptors.py
o Psi4VisualizeElectrostaticPotential.py
o Psi4VisualizeFrontierOrbitals.py
These Python noscripts rely on the availability of Psi4 and RDKit in your
environment. The RDKit is used to process molecules and generate initial 3D
coordinates for Psi4.
http://www.mayachemtools.org/
noscripts, is now available containing the following Python noscripts based on
Psi4:
o Psi4CalculateEnergy.py
o Psi4CalculatePartialCharges.py
o Psi4CalculateProperties.py
o Psi4GenerateConformers.py
o Psi4PerformMinimization.py
o Psi4VisualizeDualDenoscriptors.py
o Psi4VisualizeElectrostaticPotential.py
o Psi4VisualizeFrontierOrbitals.py
These Python noscripts rely on the availability of Psi4 and RDKit in your
environment. The RDKit is used to process molecules and generate initial 3D
coordinates for Psi4.
http://www.mayachemtools.org/
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Physicists Harnessed Thousands of Molecules Into a Single Quantum State
https://www.sciencealert.com/scientists-have-harnessed-thousands-of-molecules-into-a-single-quantum-state
https://www.sciencealert.com/scientists-have-harnessed-thousands-of-molecules-into-a-single-quantum-state
ScienceAlert
Physicists Harnessed Thousands of Molecules Into a Single Quantum State
In a major milestone for quantum physics, thousands of molecules have been induced to share the same quantum state, dancing together in unison like one huge super molecule.