For years, scientists in the field of molecular dynamics have been squeezed in their research. Traditional simulations that ...

This article reaffirms the designation of ‘collective bonding’, using additional computational tools to support the original ...

Quantum calculations of molecular systems often require extraordinary amounts of computing power; these calculations are ...

How can aromatic compounds be separated from aliphatic compounds efficiently without having to rely on energy-intensive ...

David Baker, Demis Hassabis and John M. Jumper have been awarded the Nobel Prize in chemistry for their research into ...

Currently employed computational methods to simulate materials and their mechanical behavior are based on molecular dynamics ...

Researchers developed CrystaLLM, an AI that predicts crystal structures, enhancing material discovery for advanced ...

Tracking ultrafast electronic changes in molecules is challenging, especially in liquids. An X-ray spectroscopy study in pyrazine now shows electronic dynamics created at conical intersections ...

We are taking cross-sector action in writing to government ministers, as the UK urgently needs a strategic, joined-up approach, led by central Government, for the use and management of materials in ...

A simple chemical bond between carbon and fluorine atoms changed the world — for ... Both methods combine a catalyst with some relatively simple chemistry driven by the energy of visible light.

Published recently in Nature Chemistry, the study outlines the development of this ... of chemicals made up of hydrogen and carbon with one or more pairs of carbon atoms linked by a double bond).

State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Beijing National Laboratory for Molecular Sciences (BNLMS), Chemistry Academy of Sciences Research/Education Center for ...