Linear analysis plays a central role in science and engineering. Even when dealing with nonlinear systems, understanding the linear response is often crucial for gaining insight into the underlying ...

Porous two-dimensional crystals like graphene have the potential to revolutionize reverse-osmosis membrane technology. The permeability is a common figure of merit that describes the ease with which ...

Prof. Jiazhong Hu at Tsinghua University and Prof. Xuzong Chen at Peking University, utilizing a new theory named non-adiabatic linear response proposed by Prof. Hui Zhai at Tsinghua University, ...

From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, and describes the fundamental theory behind each level of approximation.

INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...