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 ...

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 ...

Advance your expertise in critical areas of aerospace science and technology with UMass Lowell's Ph.D. in Aerospace Engineering. Through rigorous training in experimental and computational methods, ...

Artificial intelligence (AI) is increasingly transforming computational mechanics, yet many AI-driven models remain limited by poor interpretability, weak generalization, and insufficient physical ...

Understanding how molecules interact with metal surfaces is fundamental to catalysis and surface chemistry. However, traditional computational methods face a trade-off: achieving high accuracy often ...

Large-scale human genetics studies have shown that many risk variants for common and complex diseases sit in the non-coding genome, where they can alter ...

In October 2015 the National Academies of Sciences, Engineering, and Medicine convened a workshop of experts from diverse communities to examine predictive theoretical and computational approaches for ...

Researchers have developed EVE-Vax, a computational design tool that creates synthetic SARS-CoV-2 spike proteins mimicking future immune-evading variants. These designed proteins enable early ...

Cancer is the second leading cause of death worldwide. Since age is one of the risk factors for the development of cancer, ...

Soon after a team of researchers from Schrödinger published a commentary in Cell earlier this year detailing their model for predicting binding to human ether-a-go-go related gene (hERG), they sent a ...