Sitemap
A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
Posts
High Frequency GRE Words
Published:
High Frequency GRE Words
Read moreDielectric Properties (VASP)
Published:
Dielectric properties
Read moreLinear Response (VASP)
Published:
Linear response
Read moreElectronic Structure Analysis (VASP)
Published:
Electronic Structure Analysis (VASP)
Read moreAb-initio Molecular Dynamics (VASP)
Published:
Ab-initio Molecular Dynamics (VASP)
Read moreIELTS Prep Notes - Speaking (Part 3)
Published:
IELTS Speaking Preparation Notes: Part 3 Read more
IELTS Prep Notes - Speaking (Part 2)
Published:
IELTS Speaking Preparation Notes: Part 2 Read more
IELTS Prep Notes - Speaking (Part 1)
Published:
IELTS Speaking Preparation Notes: Part 1 Read more
IELTS Prep Notes - Speaking (Overview)
Published:
IELTS Speaking Preparation Notes: Overview Read more
IELTS Prep Notes - Writing (Part 2)
Published:
IELTS Writing Preparation Notes: Part 2 Read more
IELTS Prep Notes - Writing (Part 1)
Published:
IELTS Writing Preparation Notes: Part 1 Read more
IELTS Prep Notes - Writing (Overview)
Published:
IELTS Writing Preparation Notes: Overview Read more
VASP Error & Solution
Published:
Task Type: Elastic constant calculation Error log: Read more
Determining optical bandgap with Tauc Plot
Published:
实验上主要采用Tauc Plot方法确定材料的光学带隙,理论计算上主要通过介电函数虚部第一个吸收峰确定材料的光学带隙。 Read more
Band-structure calculation using hybrid functionals
Published:
采用杂化泛函不能使用ICHARG=11,即只能进行自洽计算。 Read more
Notes of CMS practice
Published:
This is the Practice part of Computational Materials Science: From Algorithm principle to Code Implementation. Read more
Elastic Mechanics
Published:
二阶弹性常数(SOECs)控制着材料的力学性质,对材料的稳定性和刚度有重要影响。Read more
Notes of CMS Principle
Published:
This is the Principle part of Computational Materials Science: From Algorithm principle to Code Implementation. Read more
Collection of Research Utilities
Published:
Utilities for research on computational materials science.Read more
Collection of Research Tutorials
Published:
Tutorials related to computational materials science software.Read more
Collection of Research Libraries
Published:
Library of Computational Materials Science
Read moreUnit Conversions
Published:
Unit conversions commonly used in computational materials science
Read moreportfolio
Crystal Structure Prediction
Explore the configuration space of Ge-Sb-Te system using genetic algorithm , aiming to find new (meta)stable materials.
Read more
Machine Learning Potential Accelerates Crystal Structure Prediction
The process of energy evaluation in crystal structure prediction can be greatly accelerated by using machine learning potentials instead of first principles calculations.
Read more
publications
Paper Title Number 1
Published in Journal 1, 2009
This paper is about the number 1. The number 2 is left for future work. Read more
Recommended citation: Your Name, You. (2009). "Paper Title Number 1." Journal 1. 1(1).
Download Paper | Download Slides
Paper Title Number 2
Published in Journal 1, 2010
This paper is about the number 2. The number 3 is left for future work. Read more
Recommended citation: Your Name, You. (2010). "Paper Title Number 2." Journal 1. 1(2).
Download Paper | Download Slides
Paper Title Number 3
Published in Journal 1, 2015
This paper is about the number 3. The number 4 is left for future work. Read more
Recommended citation: Your Name, You. (2015). "Paper Title Number 3." Journal 1. 1(3).
Download Paper | Download Slides
Paper Title Number 4
Published in GitHub Journal of Bugs, 2024
This paper is about fixing template issue #693. Read more
Recommended citation: Your Name, You. (2024). "Paper Title Number 3." GitHub Journal of Bugs. 1(3).
Download Paper
talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown! Read more
Conference Proceeding talk 3 on Relevant Topic in Your Field
Published:
This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field. Read more
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post. Read more
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post. Read more