Machine learning speeds up quantum chemistry calculations

Quantum chemistry, the study of chemical properties and processes at the quantum scale, has opened many paths to research and discovery in modern chemistry. Without ever handling a beaker or a test tube, chemists can make ...

Surrey builds AI to find anti-ageing chemical compounds

The University of Surrey has built an artificial intelligence (AI) model that identifies chemical compounds that promote healthy aging—paving the way towards pharmaceutical innovations that extend a person's lifespan.

Recent advance in detonation theory

A detonation wave is a chemical reaction wave propagating at the velocity of a shock wave along the explosive charge. There is great demand for a detonation model that can accurately simulate the detonation process, which ...

Chemists find new way to create 'building blocks' for drugs

(Phys.org)—A new way to prepare biaryls – compounds that are essential building blocks in the creation of drugs and many modern materials such as LEDs – using gold as a catalyst is described by researchers from the ...

European researchers identify materials at the nanoscale

Spanish and German researchers have made a new instrumental development that solves a key materials science and nanotechnology question: how to chemically identify materials at the nanometre scale.

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