Quantum Chemistry Research Repository

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

Research Articles

The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design

Explore how QTAIM revolutionizes molecular understanding from materials science to medicine through electron density analysis.

Hazel Turner
Oct 26, 2025

Mapping the Invisible: The QTAIM Quest to See Chemical Bonds

Explore how Quantum Theory of Atoms in Molecules (QTAIM) revolutionized chemistry by providing a mathematical framework to visualize and understand chemical bonds.

Olivia Bennett
Aug 22, 2025

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