Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...

There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

Biology is full of molecular machines, such as motor proteins and ATP synthase, that operate self-sufficiently through cycles of oxidation and reduction. A team of human chemists at the University of ...

The complex of ammonium-linked ferrocene (Fc-amm) and crown ether is assembled on a Cu(111) surface, and its sliding motion is activated by hole injection into the ferrocene group using scanning ...

A molecular model shows two macrocycles interlocked like links in a chain, with additional atoms attached on the side of one ring. This conceptual version of the catenane made by Michael Kathan and ...

Sir Fraser Stoddart, who has died aged 82, was a phenomenally inventive Scottish-born scientist who shared the 2016 Nobel Prize in Chemistry with the Frenchman Jean-Pierre Sauvage and the Dutch ...

Though it might seem like science fiction, scientists are working to build nanoscale molecular machines that can be designed for myriad applications, such as "smart" medicines and materials. But like ...

(Nanowerk News) Artificial molecular machines, nanoscale machines consisting of a few molecules, offer the potential to transform fields involving catalysts, molecular electronics, medicines, and ...

Ferrocene is a key molecule for developing molecular machines. However, it readily decomposes on the surface of flat noble metal substrates, marking a significant challenge. Now researchers have ...