A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Researchers have developed a powerful computational framework that shows how carefully optimized nanotube shapes can amplify ...

A novel computational method created at the University of Chicago aims to illuminate some of the most enigmatic materials ...

Ph.D. student Lena Dubinsky and Prof. Leore Grosman from the Computational Archaeology Laboratory at the Hebrew University's Institute of Archaeology have pioneered a new method to study rock ...

The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

Researchers from Turku Bioscience Centre at the University of Turku, Finland, have developed a new computational method to interpret complex single-cell data. The method helps researchers identify and ...

A new study has developed a powerful computational method that can detect how genes interact with each other to influence complex traits in humans at a scale previously impossible.

Chemists use density functional theory (DFT) to accurately approximate the exact properties—like free energies—of molecules or materials in a reasonable amount of time. The method is widely used even ...