Changelog

Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.2.0] - 2026-07-15

v0.2.0 focuses on four validated quantum imaging pipelines: CTEM (WPOA), CTEM multislice, STEM (WPOA), and STEM multislice.

Added

  • Quantum STEM Multislice implementation (run_stem_multislice, build_probe_circuit)

  • Demonstration notebooks 10 (quantum CTEM) and 11 (quantum STEM)

Changed

  • Scope: quantum diffraction modes, frozen-phonon/TDS channels, and the Bloch-wave QPE eigensolver moved to the dev branch for a future release

  • Rewrote README around the four available pipelines with verified examples

  • Bump versions in packaging files to v0.2.0 and add quantum STEM imports

  • Update authors, qiskit version (>= 2.0), dependencies, and installation instructions

Fixed

  • Relativistic wavelength: corrected gamma factor to 1 + eV/(2·m0·c²) (was off by −4% to −10% at 100–300 kV); interaction constant now matches literature values to <0.1%

  • Fresnel propagator phase: corrected to −π·λ·Δz·k² with spatial-frequency grid (quantum vs classical multislice fidelity now 1.000000)

  • Corrected formulas, DiagonalGate usage, and documentation for quantum CTEM circuit

  • Fixed frequency grid usage (raw spatial frequencies, Kirkland convention) in CTF and propagator

  • Fixed repository clone commands

Documentation

  • Major documentation restructuring for v0.2.0: quantum_ctem-focused API and notebook gallery

  • Removed deprecated analysis, processing, and QML docs (will be reimplemented in future versions)

  • Notebook sources ship without outputs; pre-executed reference copies retained

  • Updated tutorials, notebooks, guides, and API docs

[0.2.0] - 2026-03-12

Added

  • Quantum Bloch Wave implementation implementation using QPE

  • Quantum Diffraction (WPOA, SAED, CBED, Kikuchi, nBD, EBSD modes)

  • Quantum Frozen Phonons experimental implementation with 3 different executions

  • Quantum STEM with HAADF/ADF/BF/iDPC multi-detectors

  • Quantum Multislice Circuit using Fresnel propagator gates

  • Demonstration notebooks 05-09 for new quantum implementations

  • Test script for Si3N4

Changed

  • Updated quantum_ctem/init.py for all new modules

  • Updated README.md to reflect v0.2.0 in title, documentation, developer credits, and arXiv paper

Fixed

  • Qiskit 2.x partial_trace API (standalone qiskit.quantum_info.partial_trace)

  • QPE beam-count guard (MAX_SV_BEAMS=16) to prevent UnitaryGate hang

  • ClassicalBlochWave.amplitude() returns complex (eliminates ComplexWarning)

[0.1.2] - 2026-01-22

Changed

  • Updated README.md to reflect v0.1.1 in title and documentation

[0.1.1] - 2026-01-22

Added

  • Quantum CTEM demonstration notebook (examples/quantum_ctem.ipynb)

  • Quantum CTEM simulation modules with backends, materials, and workflows

  • Comprehensive documentation for quantum CTEM methodology

  • Backend abstraction layer (SimulatorBackend, IBMBackend)

  • Material definitions (MoS2, Graphene) with atomic structure builders

  • Quantum wavefunction encoding with amplitude encoding

  • Momentum space operations using Quantum Fourier Transform

  • Circuit optimization for IBM quantum hardware

  • Performance benchmarking tools

Changed

  • Modernized package structure to use pyproject.toml

  • Updated repository URLs to QuScope/QuScope organization

  • Enhanced documentation with quantum CTEM examples

  • Improved README with comprehensive examples and usage guide

Fixed

  • Package installation in editable mode

  • Module import paths for quantum_ctem subpackages

Documentation

  • Added docs/examples/quantum_ctem.rst with detailed methodology

  • Updated docs/notebooks.rst with quantum CTEM notebook description

  • Enhanced quickstart guide with featured quantum CTEM example

  • Updated repository structure documentation

[0.1.0] - 2025-07-09

Added

  • Initial release of QuScope - Quantum Algorithm Microscopy package

  • Quantum image processing capabilities with quantum encoding, segmentation, and filtering

  • EELS (Electron Energy Loss Spectroscopy) analysis with quantum preprocessing and processing

  • Quantum machine learning module with image encoding functionality

  • Comprehensive documentation with Sphinx and Read the Docs integration

  • Full pip installability with proper package structure

  • Example notebooks demonstrating quantum microscopy workflows

  • Unit tests and CI/CD pipeline with GitHub Actions

Features

  • Quantum state preparation and manipulation for image processing

  • Advanced quantum algorithms for microscopy analysis

  • Integration with Qiskit for quantum computing operations

  • Modular architecture for extensibility

  • Professional documentation and API reference

Documentation

  • Complete API documentation

  • Installation and quickstart guides

  • Tutorial notebooks with practical examples

  • Read the Docs integration for online documentation

Package Structure

  • Source layout with proper Python packaging

  • PyPI-ready configuration

  • Comprehensive testing suite

  • Development tools and pre-commit hooks