Welcome to HQS Cloud beta

This is the beta version of the HQS Cloud software. HQS Cloud and its Self-Consistent Cluster Embedding (SCCE) package are developed by HQS Quantum Simulations GmbH.

The current beta version of the SCCE embedding software supports the inverse Hartree-Fock (iHF) and inverse density functional theory (iDFT) based self-consistent embedding schemes. The HQS Cloud software furthermore offers an easy-to-use backend to a DMRG solver for performing simulations of Hubbard-like and spin models in one and two dimensions. Additional self-consistent embedding schemes are currently being tested and improved at HQS and will be available shortly.

During the current beta release cycles we are emphasizing the extension of the models with respect to site and interaction types. The self-consistent embedding loop is therefore currently restricted to spin symmetric systems.

Contents:

• Introduction
• Get Started
  • Creating an Account
  • Navigating HQS Cloud
    • Applications Page
    • The Lattice Dashboard - Manage your Lattice Jobs
    • The Jobs Dashboard
    • Structures Page
    • Fermion Lattice Dashboard & Spin Lattice Dashboard
    • Fermion Lattice Configuration & Spin Lattice Configuration
• Spin Lattice Structures Tutorial
  • Configure a Spin Lattice
    • The Unit-Cell
    • The System Settings
    • Validate your Configuration
  • Edit your Spin Lattice
    • Edit via the Lattice Plot
    • Edit or delete via the Table Entries
  • Read the Lattice Plot
    • Visualization of Magnetic Fields
    • Visualization of Interactions
• Fermion Lattice Structures Tutorial
  • Spinful and Spinless Fermion Lattices
  • Configure a Fermion Lattice
    • The Unit-Cell
    • The System Settings
    • Validate your Configuration
  • Edit your Fermion Lattice
    • Edit via the lattice plot
    • Edit or delete via the Table Entries
  • Read the lattice plot
    • Visualization of Magnetic Fields for Spinful Fermions
    • Visualization of interactions for spinful fermions
• Parameters
  • Unit-Cell and System Parameters
• Physics
  • Lattice models
  • Hamiltonians
  • Reduced density matrices
    • Rationale
    • Corollary
  • Cluster Embedding
    • SCCE/iMF
    • CPT
    • DMFT
    • CDMFT
    • DMET
    • CASSCF
• Results
  • Result Files
    • Plain HDF5
    • Pandas
    • JSON
    • YAML
  • Content
    • Unitcell
    • System
    • Run
    • Result
• Schema definitions
• FAQ
  • Problems & Bugs
  • The results are nonphysical
  • Single site cluster
  • Single cluster system
  • DMRG
• Gallery
  • Band structures calculated with CPT
    • Simple 1D chain with Hubbard-type interactions
    • Effective 1D model of a Transpolyacetylene with Hubbard-type interactions
    • 1D Diamond chain with Hubbard-type interactions
    • 1D Lieb chain with Hubbard-type interactions
    • 2D Square lattice with Hubbard-type interactions
    • Graphene with Hubbard-type interactions
    • Lieb lattice with Hubbard-type interactions
    • Kagome lattice with Hubbard-type interactions
    • Dice lattice with Hubbard-type interactions
  • Properties of large systems
    • Cubic lattice with onsite disorder
    • Graphene with structural disorder
    • Silicon band structure
      • Pristine silicon
      • Disordered silicon