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 ...

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 have reported a sample-prior-based approach to point spread function decoupling that improves system ...

Simulate the processes required to develop specific materials microstructures and properties. Develop skills and competencies in computational modeling and simulation. Simulate microstructural ...

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

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 ...

A research team has delivered an overview of how computational tools are reshaping the design of nonnatural metabolic pathways—engineered biochemical routes that do not exist in nature but enable ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Our CSM research includes static and dynamic analyses of complex solid bodies using computational approaches such as finite volume, finite element, discrete element, and meshless methods. The focus of ...

A team of Ghanaian and South African mathematicians has earned global recognition for developing the Approximate Analytical ...