Metal alloys crack and fail through a mechanism called "fatigue" when repeatedly loaded and strained. While it is well known how to design alloys to withstand static loads and pressures, it is very ...

The electronic structure of atoms and molecules is the series of energy levels that it are possible for a bound electron to occupy. This electronic structure determines many of the defining ...

Structure-based drug design is the design and optimization of a chemical structure with the goal of identifying a compound suitable for clinical testing — a drug candidate. It is based on knowledge of ...