In a recent article, researchers from the University of Jyväskylä, Finland, emphasize the importance of multiscale modeling of catalysis in understanding and developing (electro)chemical processes.

A new quantum-inspired algorithm is reshaping how scientists approach some of the most complex materials known, enabling ...

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 ...

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, ...

A new computational method could dramatically accelerate efforts to map the body's cells in space, according to a study ...

Art isn’t complete until it’s shared, the saying goes. If that’s true, is a computational method complete if others cannot use it? When I was a student, I was often eager to apply new computational ...

The transition between wakefulness and states of reduced consciousness, whether pharmacologically induced via anesthesia or pathologically necessitated by ...

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 ...

A computational approach by St. Jude Children's Research Hospital scientists promises to make designing T cell-based immunotherapies that target two cancer-related antigens at the same time far easier ...

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 ...

In materials science, if you can understand the "texture" of a material—how its internal patterns form and shift—you can begin to design how it behaves. That's the focus of the work of Zhenglu Li, ...