antinature 0.1.0

Quantum chemistry package for antimatter simulations

Antimatter Quantum Chemistry (antinature)

A high-performance quantum chemistry framework designed specifically for simulating antimatter systems, including positronium, anti-hydrogen, and other exotic matter-antinature configurations.

Features

• Specialized antinature Physics: Dedicated algorithms for positrons and positron-electron interactions
• Relativistic Corrections: Implementation of relativistic effects critical for accurate antinature modeling
• Annihilation Processes: Modeling of electron-positron annihilation dynamics
• Quantum Computing Integration: Built-in Qiskit integration for quantum simulations of antinature systems
• Validation Tools: Framework for verifying results against known theoretical benchmarks

Installation

Basic Installation

pip install antinature

Installation with Quantum Computing Support

pip install antinature[qiskit]

Development Installation

For development purposes with testing tools:

# Clone the repository
git clone https://github.com/mk0dz/antinature.git
cd antinature

# Install in development mode with all dependencies
pip install -e .[all]

# Run tests
pytest

Dependencies

The package has the following optional dependency groups:

• qiskit: Required for quantum computing features (Qiskit, Qiskit-Nature, Qiskit-Aer)
• dev: Development tools (pytest, black, isort)
• all: Installs all optional dependencies

If you encounter any test failures related to missing dependencies, please ensure you've installed the appropriate dependency group:

# For quantum computing features
pip install -e .[qiskit]

# For development tools
pip install -e .[dev]

# For all dependencies
pip install -e .[all]

Quick Start

import numpy as np
from antinature.core.molecular_data import MolecularData
from antinature.utils import create_antinature_calculation

# Create a positronium system (electron-positron bound state)
positronium = MolecularData.positronium()

# Configure and run the calculation
result = create_antinature_calculation(
    positronium,
    basis_options={'quality': 'positronium'},
    calculation_options={
        'include_annihilation': True,
        'include_relativistic': True
    }
)

# Print key results
print(f"Ground state energy: {result['energy']:.6f} Hartree")
print(f"Annihilation rate: {result['annihilation_rate']:.6e} s^-1")
print(f"Lifetime: {result['lifetime_ns']:.4f} ns")

Examples

The package includes several example scripts for common antinature research scenarios:

• examples/positronium_example.py: Basic positronium energy calculation
• examples/complex_molecule.py: Multi-particle antimatter system simulations
• examples/anti_heh.py: Anti-hydrogen-helium molecule calculations
• examples/lih_ion.py: Lithium hydride ion with positron calculations

Citing This Work

If you use this package in your research, please cite:

@software{antinature,
  author = {Mukul},
  title = {Antimatter Quantum Chemistry},
  url = {https://github.com/mk0dz/antinature},
  version = {0.1.0},
  year = {2025},
}

License

This project is licensed under the MIT License - see the LICENSE file for details.

Contributing

Contributions are welcome! Please feel free to submit a Pull Request.

See CONTRIBUTING.md for detailed guidelines on how to set up a development environment and contribute to this project.