Calculations and Simulations of Low-Dimensional Materials

In contrast to the existing books, where conventional simulations for traditional materials are usually presented, the developed methods for novel materials are comprehensively reviewed in this book.

1 An Introduction to Density Functional Theory (DFT) and Derivatives
2 New Physical Effects Based on Band Structure
3 Ferromagnetic Order in Two- and One-Dimensional Materials
4 Two-Dimensional Topological States
5 Calculation of Excited-State Properties
6 Charge Carrier Dynamics from Simulations
7 Simulations for Photocatalytic Materials
8 Simulations for Electrochemical Reactions
 

• By (author) Ying Dai
• By (author) Wei Wei
• By (author) Yandong Ma
• By (author) Chengwang Niu