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 ...

Systems biology is a rapidly evolving discipline that examines the complex interactions underlying biological function ...

A puzzle in theoretical chemistry has been solved at TU Wien: A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy. Why can ...

A new computational method extracts electronic band structures from finite, imperfect, and curved nanomaterials, linking nano ...

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 ...

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 ...

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 ...