Researchers combine cheap calculations with visual bond-current graphs to give easily interpretable representations of aromaticity in polycyclic compounds

Metal-organic frameworks, a class of materials with porous molecular structures, have a variety of possible applications, such as capturing harmful gases and catalyzing chemical reactions. Made of metal ...

The breakthrough came on molecular biologist Christopher Garcia’s birthday. For more than 20 years, his team and others around the world had been chasing an elusive quarry – the 3D structure of a crucial signaling protein in cells. In late 2021, his electron…

Some physicists worry about stifling debate, others commend arXiv’s system of moderating papers

Researchers have produced 'remarkable images' of the polyethylene production process

Nature Communications - Theoretical denoscription of light-matter coupling in the strong-coupling regime is challenging. Here the authors introduce a fully consistent ab-initio method of molecular...

Understanding machine learning predictions by exploring the road not travelled

A challenge in materials design is that in both natural and manmade materials, volume sometimes decreases, or increases, with increasing temperature. While there are mechanical explanations for this phenomenon ...

A new hybrid quantum-classical approach could help avoid issues with noise in quantum circuits

Zotero, the popular open source research and reference management tool, has a new release out full of new features and an improved workflow.

Nature Communications - Direct hydrogenation of CO2 into liquid fuels can mitigate CO2 emissions and reduce the rapid depletion of fossil fuels. Here, the authors show an iron-based multifunctional...

Weak interactions between hydrogen and carbon atoms have synthetic chemistry implications

QUICKLINKS:0:08 Introduction of Speaker2:10 Start of Presentation2:47 Outline of Presentation3:45 Part I - Introduction31:10 Part II - ezFCF42:11 Part III - ...

The way electrons flow in a material determines its electronic properties. For example, when a voltage is sustained across a conducting material, electrons start flowing, generating an electrical current. ...