Quantum Chemistry Research Repository

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

Research Articles

When Theory Meets Industry: How Computer Simulations Are Revolutionizing Materials Design

Exploring how ab initio computations transformed from academic exercises into indispensable industrial tools for materials design.

Dylan Peterson
Oct 01, 2025

The Digital Alchemist: Turning Computer Code into Rainbow Light

How scientists are using supercomputers to decode the secret vibrations of molecules through computational infrared spectroscopy.

Noah Brooks
Aug 19, 2025

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