Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

Florida State University researchers have created a new crystalline material with unusual magnetic patterns that could be ...

Newly uncovered structure-composition relationship could help to improve AI's ability to predict new inorganic materials ...

Sajish Mathew receives funding from NIH COBRE grant (P20GM109091). The effects a drug or chemical compound have on the body depend on how its atoms are arranged in space. Some compounds have a dark ...

A team of researchers at the Federal University of ABC (UFABC) in Brazil has developed a new chemical compound with the potential to treat Alzheimer's disease. The research involved computer ...

Chemists have created a highly reactive chemical compound that has eluded scientists for more than 120 years. The discovery could lead to new drug treatments, safer agricultural products, and better ...

Natural sunscreens shield the skin from harmful radiation, without triggering allergic reactions. In a recently published ...