Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

Cholesky Decomposition: The Mathematical Superpower Revolutionizing Quantum Chemistry
Cholesky decomposition quantum chemistry electronic structure

Cholesky Decomposition: The Mathematical Superpower Revolutionizing Quantum Chemistry

Explore how Cholesky decomposition techniques are transforming electronic structure theory and quantum chemistry computations.

Scarlett Patterson
Oct 20, 2025
Seeing the Invisible: A New Window on the Electronic World of Molecules
molecular visualization electronic structure computational chemistry

Seeing the Invisible: A New Window on the Electronic World of Molecules

Explore how scientists can now visually explore the intricate dance of electrons that dictates molecular behavior through web-based visualization tools.

Grayson Bailey
Oct 18, 2025
The Atomic Dance: How Electron Tailoring Creates Better Catalysts
catalysis electronic structure interfacial interaction

The Atomic Dance: How Electron Tailoring Creates Better Catalysts

Explore how electronic structure and interfacial interactions revolutionize catalyst design for cleaner energy and environmental applications.

Penelope Butler
Oct 12, 2025
Unlocking Nature's Colors: The Quantum Secrets of Porphyrins
porphyrins quantum chemistry electronic structure

Unlocking Nature's Colors: The Quantum Secrets of Porphyrins

Explore the quantum secrets of porphyrins - the remarkable molecules behind chlorophyll, heme, and nature's vibrant colors through computational chemistry.

Ava Morgan
Oct 01, 2025

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Cholesky decomposition quantum chemistry electronic structure molecular visualization computational chemistry catalysis interfacial interaction porphyrins