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 at Ben-Gurion University of the Negev (BGU)—with collaborators from the La Jolla Institute for Immunology (LJI)—have developed a new computational method for designing “super-peptides” ...

A team of physicists has developed a groundbreaking method for detecting congestive heart failure with greater ease and precision than previously thought possible. This multidisciplinary study, ...

In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in ...

Computational chemistry has its roots in the early attempts by theoretical physicists, beginning in 1928, to solve the Schrödinger equation (see Box 2.1) using hand-cranked calculating machines. These ...

Through an interdisciplinary programme of lectures, this course provides students, young researchers, and young professionals with critical skills and tools in areas such as mathematical techniques ...