Persson Group Handbook
  • Persson Group Handbook
  • (Materials Project Handbook)
  • Getting Started
    • Before you Arrive
    • After you Arrive
    • Coming Onsite
    • Getting a Computer
    • Workspace Setup
    • Getting Settled
  • Group Policies
    • Meetings
    • Leave Time
    • Purchasing
    • Travel
    • Writing/Submitting Your Paper
    • Group Agreements
  • Computing
    • Setting up your computer
    • Software
    • High Performance Computing (HPC)
      • NERSC (Perlmutter)
        • Conda Environments
        • Frequently encountered blockers
      • BRC (Savio)
      • LRC (Lawrencium)
      • NREL (Kestrel)
    • Simulation Codes
      • VASP
      • Q-Chem
      • Gaussian
      • OpenMM
      • LAMMPS
      • GROMACS
    • Fireworks & Atomate
      • Setup
      • Fireworks: Advanced Usage
    • Machine Learning (ML)
  • Group Administration
    • Group Meeting Schedule
    • Group Jobs (Fall 2024)
    • Physical Resources (printers, etc.)
    • Undergraduate Research Mentoring
    • Contributing to Handbook
    • Group Roster
  • Group resources
    • Tutorials and Helpful Links
    • Group Member Expertise
    • Professional development
    • Health and wellbeing
  • Graduate Students
    • UAW 4811 Contracts
    • Research Credits (298/299)
    • Course Recommendations
    • How to Qual (MSE)
    • How to Graduate
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  1. Computing
  2. Simulation Codes

Q-Chem

More information to come

Talk to Sam Blau, Ryan, or Evan if you have Q-Chem questions!

Lawrencium

module load /clusterfs/mp/modules/qchem/5.4.2

Cori

Coming soon!

Perlmutter

Coming soon!

PreviousVASPNextGaussian

Last updated 1 year ago