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 have developed a powerful computational framework that shows how carefully optimized nanotube shapes can amplify ...

Chemical reactions are the breaking and forming of chemical bonds, which are fundamental to the creation of new technologies. Inevitably, discovering and developing new chemical reactions is a ...

Scientists at Duke-NUS Medical School have developed two powerful computational tools that could transform how researchers ...

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 ...

Meshfree methods have emerged as a powerful alternative to traditional finite element approaches by eliminating the reliance on fixed meshes for domain discretisation. These techniques, which include ...

Researchers from Turku Bioscience Centre at the University of Turku, Finland, have developed a new computational method to interpret complex single-cell data. The method helps researchers identify and ...

Foundation models are AI systems trained on vast amounts of data — often trillions of individual data points — and they are capable of learning new ways of modeling information and performing a range ...

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, ...