Inside what looks like a simple block of frozen water, quantum mechanics is quietly rewriting the rules of chemistry. New ...

A fast and accurate surrogate model screens over 10,000 possible metal-oxide supports for a platinum nanocatalyst to prevent sintering under high temperatures.

A substance that has, for decades, been considered an essential component of accepted chemistry calculations does not actually exist, according to new research conducted by scientists from the ...

The OCU group said, "This is the first example of practical quantum algorithms, which make quantum chemical calculations realizable on quantum computers equipped with a sizable number of qubits. These ...

When ultraviolet light hits ice—whether in Earth's polar regions or on distant planets—it triggers a cascade of chemical reactions that have puzzled scientists for decades.

The study of silicon chemistry has long intrigued researchers due to silicon’s pivotal role in materials science, electronics, and catalysis. Its capacity to form a variety of coordination ...

A method smartphones use to simplify images when storage space is limited could help answer tough chemistry problems. In a report appearing in ACS Central Science, researchers apply this technique, ...

A fast and accurate surrogate model screens over 10,000 possible metal-oxide supports for a platinum nanocatalyst to prevent sintering under high temperatures.

Although I agree fully with Vernon Box that caution should be exercised in using quantum chemical (QC) calculations, some of his comments need further clarification and expansion (C&EN, Sept. 26, page ...