Machine learning & AI

Computers excel in chemistry class

Machine learning models can rapidly and accurately estimate key chemical parameters related to molecular reactivity.

Energy & Green Tech

Technique harvests waste heat from untapped sources

Thermoelectric materials convert heat to electricity or vice versa. However, their application to harvest waste heat is limited by challenges in fabrication and materials. Finding cost-effective ways to cover large and potentially ...

Energy & Green Tech

Bio-based chemicals could reduce fossil fuel use

Petrochemicals, the oil- and gas-derived compounds that serve as the molecular backbones for much of modern commerce, commanded a $539.3 billion market value in 2018.

Energy & Green Tech

Caffeine gives solar cells an energy boost

Scientists from the University of California, Los Angeles (UCLA) and Solargiga Energy in China have discovered that caffeine can help make a promising alternative to traditional solar cells more efficient at converting light ...

Chemical structure

A chemical structure includes molecular geometry, electronic structure and crystal structure of a chemical compound. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together. Molecular geometry can range from the very simple, such as diatomic oxygen or nitrogen molecules, to the very complex, such as protein or DNA molecules. Molecular geometry can be roughly represented using a structural formula. Electronic structure describes the occupation of a compound's molecular orbitals.

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