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Customize academic website for Zechen Tang
- Update _config.yml with personal info, URL, and author details - Rewrite about page with research summary and education - Update CV page with real experience and skills - Add 9 published papers and 7 preprints - Add 4 talks/presentations - Add 3 portfolio items (DeepH-pack, AI2DFT, DeepH-DFPT) - Update navigation to remove unused sections - Remove example content
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Gemfile

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source 'https://rubygems.org'
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gem 'jekyll', '~> 4.4'
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gem 'webrick'
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group :jekyll_plugins do
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gem 'jekyll'
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gem 'jekyll-feed'
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gem 'jekyll-sitemap'
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gem 'jekyll-redirect-from'
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gem 'jekyll-gist'
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gem 'jekyll-paginate'
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gem 'jemoji'
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gem 'webrick', '~> 1.8'
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end
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gem 'github-pages'
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gem 'connection_pool', '2.5.0'

_config.yml

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# Basic Site Settings
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locale : "en-US"
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site_theme : "default" # The available themes options are "default", "air", "sunrise", "mint", "dirt" and "contrast"
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title : "Your Name / Site Title"
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title : "Zechen Tang"
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title_separator : "-"
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name : &name "Your Name"
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description : &description "Your Name's academic portfolio" # Update this with a general description of your site, this is the default if not overridden by a page
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url : https://academicpages.github.io # The base hostname & protocol for your site e.g. "https://[your GitHub username].github.io",
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# or if you already have some other page hosted on Github then use "https://[your GitHub username].github.io/[Your Repo Name]"
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baseurl : "" # the subpath of your site, e.g. "/blog"
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repository : "academicpages/academicpages.github.io"
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name : &name "Zechen Tang"
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description : &description "Zechen Tang's academic personal website — computational physics & deep learning for first-principles calculations"
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url : https://karasawa-shin.github.io
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baseurl : "/Zechen_Tang"
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repository : "Karasawa-Shin/Zechen_Tang"
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# Site Author - The following control what appear as part of the author content on the side bar.
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# If a field is blank the icon and link will not appear, otherwise it will be shown.
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# Additional customization can be done by editing /_includes/author-profile.html
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author:
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# Biographic information
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avatar : "profile.png"
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name : "Your Sidebar Name"
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name : "Zechen Tang"
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pronouns : # example: "she/her"
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bio : "Short biography for the left-hand sidebar"
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location : "Earth"
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employer : "Red Brick University"
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bio : "PhD Student in Physics, Tsinghua University"
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location : "Beijing, China"
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employer : "Tsinghua University"
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uri : # URL
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email : "none@example.org"
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email : "tzc23@mails.tsinghua.edu.cn"
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# Academic websites
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academia : # URL
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arxiv : # URL - Update with the correct link to your profile
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googlescholar : "https://scholar.google.com/citations?user=PS_CX0AAAAAJ"
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inspire-hep : # URL
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impactstory : # URL
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orcid : "https://orcid.org/yourorcidurl"
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orcid : # URL
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semantic : # URL
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ssrn : # URL
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pubmed : "https://www.ncbi.nlm.nih.gov/pubmed/?term=john+snow"
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pubmed : # URL
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researchgate : # URL
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scopus : # URL
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zotero : # URL
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bitbucket : # Username - Update with your username on the site
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codepen : # Username
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dribbble : # Username
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github : "academicpages"
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github : "Karasawa-Shin"
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kaggle : # Username
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stackoverflow : # User number or user number and name (i.e., use "1" or "1/jeff-atwood")
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# Social media
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artstation : # Username
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bluesky : "bsky.app" # Replace this with you Bluesky username
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bluesky : # Bluesky username
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facebook : # Username
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flickr : # Username
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foursquare : # Username
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title: 'Journal Articles'
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conferences:
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title: 'Conference Papers'
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preprints:
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title: 'Preprints'
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# Site Settings
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teaser : # filename of teaser fallback teaser image placed in /images/ for social media previews

_data/navigation.yml

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- title: "Talks"
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url: /talks/
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- title: "Teaching"
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url: /teaching/
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- title: "Portfolio"
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url: /portfolio/
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- title: "Blog Posts"
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url: /year-archive/
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- title: "CV"
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url: /cv/
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# - title: "CV"
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# url: /cv-json/
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- title: "Guide"
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url: /markdown/

_pages/about.md

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---
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permalink: /
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title: "Academic Pages is a ready-to-fork GitHub Pages template for academic personal websites"
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title: "About"
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author_profile: true
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redirect_from:
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- /about/
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- /about.html
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---
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This is the front page of a website that is powered by the [Academic Pages template](https://github.com/academicpages/academicpages.github.io) and hosted on GitHub pages. [GitHub pages](https://pages.github.com) is a free service in which websites are built and hosted from code and data stored in a GitHub repository, automatically updating when a new commit is made to the repository. This template was forked from the [Minimal Mistakes Jekyll Theme](https://mmistakes.github.io/minimal-mistakes/) created by Michael Rose, and then extended to support the kinds of content that academics have: publications, talks, teaching, a portfolio, blog posts, and a dynamically-generated CV. Incidentally, these same features make it a great template for anyone that needs to show off a professional template!
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I am a PhD student in the Department of Physics at [Tsinghua University](https://www.tsinghua.edu.cn/), working under the supervision of [Prof. Yong Xu](https://www.xutrinity.org/). My research lies at the intersection of **computational physics and artificial intelligence**, focusing on enhancing first-principles calculations (e.g., density functional theory, DFT) via deep learning.
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You can fork [this template](https://github.com/academicpages/academicpages.github.io) right now, modify the configuration and Markdown files, add your own PDFs and other content, and have your own site for free, with no ads!
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Within one of the leading groups on **Deep-learning DFT Hamiltonians (DeepH)**, my primary objective is **synergizing DeepH with computational physics** to solve challenges in computational materials simulations. Specifically, I have investigated magnetic materials, electron-phonon coupling, and optical properties, with the goal of advancing computational materials discovery.
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A data-driven personal website
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======
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Like many other Jekyll-based GitHub Pages templates, Academic Pages makes you separate the website's content from its form. The content & metadata of your website are in structured Markdown files, while various other files constitute the theme, specifying how to transform that content & metadata into HTML pages. You keep these various Markdown (.md), YAML (.yml), HTML, and CSS files in a public GitHub repository. Each time you commit and push an update to the repository, the [GitHub pages](https://pages.github.com/) service creates static HTML pages based on these files, which are hosted on GitHub's servers free of charge.
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Beyond publishing research papers, I am committed to **open-source software development** and **science communication**. I co-authored a feature article on the 2024 Nobel Prize in Physics for *Physics (Wuli)*, a leading Chinese popular science journal, aiming to bridge the gap between advanced AI-physics research and the public.
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Many of the features of dynamic content management systems (like Wordpress) can be achieved in this fashion, using a fraction of the computational resources and with far less vulnerability to hacking and DDoSing. You can also modify the theme to your heart's content without touching the content of your site. If you get to a point where you've broken something in Jekyll/HTML/CSS beyond repair, your Markdown files describing your talks, publications, etc. are safe. You can rollback the changes or even delete the repository and start over - just be sure to save the Markdown files! You can also write scripts that process the structured data on the site, such as [this one](https://github.com/academicpages/academicpages.github.io/blob/master/talkmap.ipynb) that analyzes metadata in pages about talks to display [a map of every location you've given a talk](https://academicpages.github.io/talkmap.html).
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## Education
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For those users that need more advanced functionality, the template also supports the following popular tools:
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- [MathJax](https://www.mathjax.org/) for mathematical equations
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- [Mermaid](https://mermaid.js.org/) for diagraming
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- [Plotly](https://plotly.com/javascript/) for plotting
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- **Ph.D. Student in Physics** (Advisor: Prof. Yong Xu)
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Tsinghua University, Aug. 2023 – Present
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Getting started
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======
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1. Register a GitHub account if you don't have one and confirm your e-mail (required!)
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1. Fork [this template](https://github.com/academicpages/academicpages.github.io) by clicking the "Use this template" button in the top right.
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1. Go to the repository's settings (rightmost item in the tabs that start with "Code", should be below "Unwatch"). Rename the repository "[your GitHub username].github.io", which will also be your website's URL.
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1. Set site-wide configuration and create content & metadata (see below -- also see [this set of diffs](https://archive.is/3TPas) showing what files were changed to set up [an example site](https://getorg-testacct.github.io) for a user with the username "getorg-testacct")
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1. Upload any files (like PDFs, .zip files, etc.) to the files/ directory. They will appear at https://[your GitHub username].github.io/files/example.pdf.
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1. Check status by going to the repository settings, in the "GitHub pages" section
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- **B.Sc. in Mathematics and Physics** (GPA: 3.83/4.00, Rank: 11/55)
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Tsinghua University, Sep. 2020 – Jun. 2023
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Site-wide configuration
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------
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The main configuration file for the site is in the base directory in [_config.yml](https://github.com/academicpages/academicpages.github.io/blob/master/_config.yml), which defines the content in the sidebars and other site-wide features. You will need to replace the default variables with ones about yourself and your site's github repository. The configuration file for the top menu is in [_data/navigation.yml](https://github.com/academicpages/academicpages.github.io/blob/master/_data/navigation.yml). For example, if you don't have a portfolio or blog posts, you can remove those items from that navigation.yml file to remove them from the header.
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Create content & metadata
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------
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For site content, there is one Markdown file for each type of content, which are stored in directories like _publications, _talks, _posts, _teaching, or _pages. For example, each talk is a Markdown file in the [_talks directory](https://github.com/academicpages/academicpages.github.io/tree/master/_talks). At the top of each Markdown file is structured data in YAML about the talk, which the theme will parse to do lots of cool stuff. The same structured data about a talk is used to generate the list of talks on the [Talks page](https://academicpages.github.io/talks), each [individual page](https://academicpages.github.io/talks/2012-03-01-talk-1) for specific talks, the talks section for the [CV page](https://academicpages.github.io/cv), and the [map of places you've given a talk](https://academicpages.github.io/talkmap.html) (if you run this [python file](https://github.com/academicpages/academicpages.github.io/blob/master/talkmap.py) or [Jupyter notebook](https://github.com/academicpages/academicpages.github.io/blob/master/talkmap.ipynb), which creates the HTML for the map based on the contents of the _talks directory).
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**Markdown generator**
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The repository includes [a set of Jupyter notebooks](https://github.com/academicpages/academicpages.github.io/tree/master/markdown_generator
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) that converts a CSV containing structured data about talks or presentations into individual Markdown files that will be properly formatted for the Academic Pages template. The sample CSVs in that directory are the ones I used to create my own personal website at stuartgeiger.com. My usual workflow is that I keep a spreadsheet of my publications and talks, then run the code in these notebooks to generate the Markdown files, then commit and push them to the GitHub repository.
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How to edit your site's GitHub repository
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------
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Many people use a git client to create files on their local computer and then push them to GitHub's servers. If you are not familiar with git, you can directly edit these configuration and Markdown files directly in the github.com interface. Navigate to a file (like [this one](https://github.com/academicpages/academicpages.github.io/blob/master/_talks/2012-03-01-talk-1.md) and click the pencil icon in the top right of the content preview (to the right of the "Raw | Blame | History" buttons). You can delete a file by clicking the trashcan icon to the right of the pencil icon. You can also create new files or upload files by navigating to a directory and clicking the "Create new file" or "Upload files" buttons.
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Example: editing a Markdown file for a talk
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![Editing a Markdown file for a talk](/images/editing-talk.png)
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For more info
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------
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More info about configuring Academic Pages can be found in [the guide](https://academicpages.github.io/markdown/), the [growing wiki](https://github.com/academicpages/academicpages.github.io/wiki), and you can always [ask a question on GitHub](https://github.com/academicpages/academicpages.github.io/discussions). The [guides for the Minimal Mistakes theme](https://mmistakes.github.io/minimal-mistakes/docs/configuration/) (which this theme was forked from) might also be helpful.
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- **Undergraduate in Chemistry**
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Tsinghua University, Sep. 2018 – Aug. 2020

_pages/cv.md

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Education
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======
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* Ph.D in Version Control Theory, GitHub University, 2018 (expected)
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* M.S. in Jekyll, GitHub University, 2014
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* B.S. in GitHub, GitHub University, 2012
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* Ph.D. in Physics, Tsinghua University, 2023 – Present (Advisor: Prof. Yong Xu)
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* B.Sc. in Mathematics and Physics, Tsinghua University, 2023 (GPA: 3.83/4.00, Rank: 11/55)
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* Undergraduate in Chemistry, Tsinghua University, 2018 – 2020
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Work experience
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Research Summary
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======
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* Spring 2024: Academic Pages Collaborator
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* GitHub University
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* Duties includes: Updates and improvements to template
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* Supervisor: The Users
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* Fall 2015: Research Assistant
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* GitHub University
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* Duties included: Merging pull requests
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* Supervisor: Professor Hub
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* Summer 2015: Research Assistant
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* GitHub University
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* Duties included: Tagging issues
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* Supervisor: Professor Git
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Skills
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======
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* Skill 1
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* Skill 2
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* Sub-skill 2.1
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* Sub-skill 2.2
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* Sub-skill 2.3
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* Skill 3
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My research focuses on deep-learning-assisted first-principles calculations, including:
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* Deep-learning density functional theory (DFT) Hamiltonians (DeepH)
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* Deep-learning density functional perturbation theory (DFPT)
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* Neural-network DFT based on variational energy minimization
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* Deep-learning hybrid DFT and magnetic materials simulations
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Publications
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<ul>{% for post in site.publications reversed %}
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{% include archive-single-cv.html %}
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{% endfor %}</ul>
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Talks
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<ul>{% for post in site.talks reversed %}
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{% include archive-single-talk-cv.html %}
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{% include archive-single-talk-cv.html %}
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{% endfor %}</ul>
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Teaching
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Code Development
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======
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<ul>{% for post in site.teaching reversed %}
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{% include archive-single-cv.html %}
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{% endfor %}</ul>
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Service and leadership
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* [DeepH-pack](https://github.com/mzjb/DeepH-pack) interface with multiple DFT codes (SIESTA, FHI-aims, ABACUS, pyscf, GPAW)
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* [AI2DFT](https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.133.076401) — An auto-differentiable DFT code
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* Modified SIESTA for DeepH-DFPT calculations
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* Post-processing tools for DeepH
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Technical Skills
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======
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* Currently signed in to 43 different slack teams
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* **DFT codes:** VASP, Quantum Espresso, FHI-aims, OpenMX, ABACUS, pyscf, SIESTA
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* **Phonon/EPC:** Quantum Espresso with EPW
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* **Magnetic simulations:** (Non-collinear) magnets with VASP and OpenMX
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* **Wannierization:** Quantum Espresso/Wannier90
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* **Excited-state:** Hybrid DFT and *GW* with FHI-aims, ABACUS, pyscf
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* **Programming:** Python, Julia, Fortran, C(++), MATLAB, LaTeX

_portfolio/portfolio-1.md

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_portfolio/portfolio-2.html

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_portfolio/portfolio-ai2dft.md

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---
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title: "AI2DFT — Auto-Differentiable Density Functional Theory"
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excerpt: "An auto-differentiable DFT code compatible with pseudo-atomic orbital basis and norm-conserving pseudopotentials."
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collection: portfolio
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---
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AI2DFT is an auto-differentiable density functional theory program that enables gradient-based optimization of electronic structure calculations. Key features include:
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- Compatibility with pseudo-atomic orbital basis sets
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- Norm-conserving pseudopotentials
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- Auto-differentiation for variational energy minimization
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Associated with the paper: [*Neural-network density functional theory based on variational energy minimization*, Phys. Rev. Lett. 133, 076401 (2024)](https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.133.076401).

_portfolio/portfolio-deeph-dfpt.md

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---
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title: "Modified SIESTA for DeepH-DFPT"
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excerpt: "In-house modifications of the SIESTA DFT code for deep-learning density functional perturbation theory (DeepH-DFPT)."
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collection: portfolio
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---
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Developed several in-house versions of the SIESTA code to enable deep-learning density functional perturbation theory (DeepH-DFPT) calculations. These modifications support:
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- Pulay correction for stress and forces
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- Non-local correction terms
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- Integration with the DeepH framework
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Associated with the paper: [*Deep-learning density functional perturbation theory*, Phys. Rev. Lett. 132, 096401 (2024)](https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.132.096401).

_portfolio/portfolio-deeph-pack.md

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---
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title: "DeepH-pack — Graph Neural Network for DFT Hamiltonians"
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excerpt: "Interface of DeepH-pack with multiple DFT codes including SIESTA, FHI-aims, ABACUS, pyscf, and GPAW. Also developed several post-processing tools for DeepH."
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collection: portfolio
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---
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DeepH-pack is a graph neural network framework for representing density functional theory Hamiltonians. As a core developer, I have contributed to:
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- Interfaces with multiple DFT codes: **SIESTA, FHI-aims, ABACUS, pyscf, and GPAW**
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- Post-processing tools for DeepH calculations
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[View on GitHub](https://github.com/mzjb/DeepH-pack){: .btn .btn--info}

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