The Schrödinger equation rewrote the rules of matter and forever changed the field of chemistry. Donald Truhlar, a chemist at the University of Minnesota, calls it the “greatest advance of the 20th ...

Guided by quantum chemical calculations, scientists design and test a new single atom catalyst that converts propane to propylene with 100% efficiency, with little deactivation by coking. If adopted ...

A quantum chemistry research team led by Dr Jun YANG from the Department of Chemistry at the University of Hong Kong (HKU) has developed an extensive and widely applicable computational technique ...

A research team led by Professor Su-Il In of the Department of Energy Science and Engineering at DGIST has uncovered the principle that the products and reaction pathways of carbon dioxide (CO2) ...