Quantum Chemistry Research Repository

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

Research Articles

Nature's Blueprint: How Computer Algorithms Are Designing the Next Generation of Nitrogen Fixation Catalysts

Discover how genetic algorithms and nature's blueprint are revolutionizing nitrogen fixation catalyst design for sustainable agriculture.

Joseph James
Oct 23, 2025

Seeing the Invisible: How Nuclear Magnetism Reveals the Hidden World of Catalysts

Explore how quadrupolar metal NMR spectroscopy uncovers the atomic structure of catalysts and oxide materials, enabling scientific breakthroughs in materials science.

Connor Hughes
Oct 17, 2025

The Digital Alchemist: How Quantum Computers are Unlocking the Secrets of Super-Catalysts

Explore how quantum chemical calculations are revolutionizing catalyst design by predicting NMR parameters and acidity in solid catalysts.

Nathan Hughes
Oct 13, 2025

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