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 ...

Researchers from Google DeepMind in Berlin, BIFOLD, and the Technical University of Berlin have introduced a new machine ...

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 ...

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

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 ...

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, ...