Skip to content

Navigation Menu

Sign inAppearance settings

View all features
- BY COMPANY SIZE
  Enterprises
  Small and medium teams
  Startups
  Nonprofits
- BY USE CASE
  App Modernization
  DevSecOps
  DevOps
  CI/CD
  View all use cases
- BY INDUSTRY
  Healthcare
  Financial services
  Manufacturing
  Government
  View all industries
View all solutions
- EXPLORE BY TOPIC
  AI
  Software Development
  DevOps
  Security
  View all topics
- EXPLORE BY TYPE
  Customer stories
  Events & webinars
  Ebooks & reports
  Business insights
  GitHub Skills
- SUPPORT & SERVICES
  Documentation
  Customer support
  Community forum
  Trust center
  Partners
View all resources
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  Accelerator
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Sign upAppearance settings

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

Uh oh!

There was an error while loading. Please reload this page.

MaterSim / CMS Public

Notifications You must be signed in to change notification settings
Fork 8
Star 27

Code
Issues 3
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Home

Jump to bottom

Qiang Zhu edited this page Jul 23, 2019 · 7 revisions

Welcome to the CMS wiki!

Computing clusters & code compilation

Home
Xsede introduction
Compile DFTB with lammps
Gromacs and Plumed
Customized Python
Customized lammps for 2D ice
Git connection from SSH

Scientific topics

Convex hull
ASE scripts

Schedules

Group Meeting 2017 Fall

Wiki pages Pages 21

Home
ASE scripts
Compile DFTB with lammps support
Computing Clusters
Convex hull and compositional phase diagram
FHI aims on Stampede2
Gromacs and Plumed
Group Calendar (2017 Fall)
High throughput calculations on ABO3
High throughput calculations on GeTe
LAMMPS GPU and MLIAP in Expanse
LAMMPS MLIAP in Expanse
Lammps simulation for 2D ICE
Online sources
Python environment setup
Stampede2 User Guide (2022 under ACCESS)
Using Frontera
Using GitHub from SSH login
Using PSC Bridge
USPEX Workshop NKU 2018 (day 1)
XSEDE intro (by Y.K. Liu)

Computing clusters

Home
Xsede introduction
Compile DFTB with lammps
Gromacs and Plumed
Customized Python
Git connection from SSH
Stampede2-User-Guide-2022

Scientific topics

Convex hull
ASE scripts

Resources

Resource

Clone this wiki locally

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.