Plan for implementing Chemistry Algorithms

[fdmalone]

My plan is to implement the set of chemistry algorithms algorithms, which include: {{THC, DF, SF, Sparse} x {mol, pbc}, first_quantized} x {SELECT and PREPARE} x {paper costs, qualtran costs}

The basic strategy is to

1. Add the basic bloqs to appropriately partition costs and capture costs given in the papers.
2. Add decompositions based on existing primitives OR high level primitives. Tag these missing features as issues.
3. Fill in the blanks.

THC

PREPARE

• [x] paper costs #350 #390
• [x] qualtran costs #350 #390
• [ ] PBC

SELECT

• [x] paper costs #387 #390
• [x] qualtran costs #387 missing primitive #386
• [ ] PBC

Sparse

PREPARE / SELECT

• [x] paper costs #409
• [x] qualtran costs
• [ ] PBC

Single Factorization

PREPARE / SELECT

• [x] paper costs #416 Requires #392
• [x] qualtran costs
• [ ] PBC

Double Factorization

PREPARE / SELECT

• [x] paper costs #401 Requires #392
• [x] qualtran costs
• [ ] PBC

First Quantization

PREPARE

• [x] paper costs #438
• [x] qualtran costs #454

SELECT

• [x] paper costs #440
• [x] qualtran costs

First Quantization (quantum nucleus / fusion)

PREPARE

• [x] paper costs #471 #498
• [x] qualtran costs

SELECT

• [x] paper costs #498
• [x] qualtran costs

Other Useful Bloqs

State preparation

• [ ] High level
• [ ] decomposition

Gaussian State preparation

• [ ] High level
• [ ] decomposition

Trotter bloqs for fusion

• [x] Bloqs #359 Missing primitive #426

Interaction picture costings

• [ ] Costs from first quantized

[fdmalone]

@tanujkhattar fyi

[fdmalone]

Closing this in favor of separate tracking issues and roadmap. Majority of bloqs (except PBC) and some decompositions are required.