Numerical simulations in physics often require estimating a multitude of parameters, making the process computationally ...

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 ...

Conical intersections are crucial molecular switching points in light-driven reactions, but accurately predicting them ...

If you have a deep-seated, nagging worry over dropping your phone in molten lava, you're in luck. Materials scientists have developed a method for rapidly discovering a new class of materials with ...

Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The ...

Researchers in Germany have developed a new computational method that could significantly speed up ...

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 ...