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Xijun Wang's Website
  • Welcome
  • Profile
  • Research
  • Awards
  • Publications
  • Teaching
  • Blogs
    • Beginner's Guidance for AWS EC2 (Amazon Elastic Compute Cloud)
    • High-throughput Computational Modeling Toolkits
    • Tutorial of Alamode installation
    • Draw core-shell structures using PPT
    • Generate Quasirandom Doping Structure with MCSQS method
    • Transition State search using CI-NEB by VASP-VTST
    • Fix Gaussian Error Messages (Continuous update)
    • Compile VASPsol codes into VASP
    • Poster - 2022 AIChE1
Xijun Wang's Website

Blogs

Beginner's Guidance for AWS EC2 (Amazon Cloud Service)

High-throughput Computational Modeling Toolkits

Poster - 2022 AIChE - Computational and AI-Guided Catalyst Design for Energy & Sustainability


Compile VASPsol codes into VASP

Fix Gaussian Error Messages (Continuous update)

Transition State search using CI-NEB by VASP-VTST

Generate Quasirandom Doping Structure with MCSQS method implemented by ATAT

Tutorial on installing Alamode on a Linux machine

An easy way to draw core-shell structures using PPT

Upcoming:

Installation and Usage of Jmol (an open-source Java viewer for chemical structures in 3D)

Installation and Usage of SISSO (sure independence screening and sparsifying operator)

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