Quantum Chemistry Research Repository

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

Research Articles

Seeing the Invisible: How Scientists Visualize the Quantum Dance of Coupled Spins

Explore how breakthrough visualization techniques are making quantum spin dynamics visible through Angular Momentum Probability Surfaces and Zero- to Ultralow-Field NMR experiments.

Wyatt Campbell
Oct 22, 2025

Seeing Atoms and Harvesting Energy: How Te NMR Reveals Bi₂Te₃'s Thermoelectric Secrets

Explore how Te NMR spectroscopy uncovers atomic-level secrets of Bi₂Te₃'s thermoelectric properties and the Seebeck effect for energy harvesting applications.

Julian Foster
Oct 21, 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

Unveiling the Invisible: How Magnetism Reveals the Hidden World of Metalloproteins

Discover how paramagnetic NMR spectroscopy is revealing the hidden coordination environments of metalloproteins at unprecedented resolution, with implications for medicine and biotechnology.

Caroline Ward
Oct 09, 2025

Seeing Clearly in a Blurry World: The MRI Revolution Hiding in a Drop of Water

Discover how scientists are using quantum conversations between hydrogen and sodium nuclei to achieve ultra-sharp MRI and NMR images in imperfect magnetic fields.

Camila Jenkins
Aug 19, 2025

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