https://github.com/lecrisut/quantumfloquet

Extensible library for quantum floquet calculations and more
https://github.com/lecrisut/quantumfloquet

Last synced: over 1 year ago
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Extensible library for quantum floquet calculations and more

• Host: GitHub
• URL: https://github.com/lecrisut/quantumfloquet
• Owner: LecrisUT
• Created: 2022-01-18T03:13:16.000Z (over 4 years ago)
• Default Branch: main
• Last Pushed: 2023-06-14T12:34:15.000Z (about 3 years ago)
• Last Synced: 2025-02-01T20:14:49.934Z (over 1 year ago)
• Language: C++
• Homepage:
• Size: 113 KB
• Stars: 1
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
QuanFloq

Extensible library for quantum floquet calculations and more


# This project is still a work in progress. Expect breaking changes until v1.0

## Philosophy

- **Computationally efficient:**

    - Directly access efficient low-level libraries

    - Cache minimal wrapper of the low-level function calls

- **Extensible:**

    - Easily creatable C++ plugins with cookie-cutter templates that are automatically discovered and loaded

    - Simple and structured human-readable top-level interface

    - Modularized design of the quantum objects, calculation steps, etc. that can be interchanged, patched, and extended

- **Built for scientists:**

    - Assume the user does not have coding expertise. Provide a wide range of top-level interface

    - Primary users are scientist. Naming conventions and documentations (in and out of code) are built upon familiar

      physical and chemical language

## Roadmap:

- [x] Extensible framework for the quantum objects

    - [x] Save/Load variables `IExposable`, `Scriber`, etc.

    - [x] Auto-Registration of the C++ class `TypeInfo`, `TypeRegistrar`, etc.

    - [x] Registration interface

    - [x] Extensible `Thing` interface

        - [x] `ThingCache`: Cache object containing a link to the called object and cached function interfaces. Linked

          to `ThingDriver` and `IThing`

        - [x] `ThingDriver`: Flexible driver class of `IThing`, which are implementation dependent

        - [x] `IThing`: High-level interface

        - [x] `ThingDef`: Definition and constructor of `Thing` defining the Thing's class, driver and components

          (if applicable). Human-readable interface via `JSON`

        - [x] `ThingComp`: Extendable components beyond the `IThing` interface and `Thing_t` data structure. Contains

          similar framework as `Thing` (`CompCache`, `CompDef`, `CompDriver`, `IComp`)

        - [x] `ThingData`: Variable data structure

        - [x] `Thing`: Top level class implementing all of the above

    - [x] File interface `JSON` only for now

    - [ ] CLI interface

- [ ] Hamiltonian `Thing` implementation

    - [ ] Basic wave function interface, e.g. `$H\ket{\Psi}$`

    - [ ] Primary components

        - [ ] Floquet component calculating the quasi-energy and average energy

        - [ ] Hartree-Fock component calculating the basic Fock operator

        - [ ] Floquet Hartree-Fock component calculating the orbital's quasi-energy and total average energy

    - [ ] Basic implementation using `mkl`

- [ ] Wave function `Thing`

- [ ] Density matrix `Thing` using Fock-space representation

- [ ] Master equation `Thing`

- [ ] CalculationNode `Thing`: Main high-level interface, performs

    - [ ] Connectable to eachother and outside via ports

    - [ ] Main interfaces:

        - [ ] Eigensolvers

        - [ ] Self-consistent solvers

        - [ ] Propagators (numeric and exact)

        - [ ] Steady-state solvers

- [ ] CalculationTree `Thing`: Graph of the various calculation nodes