Molecular Dynamics Research Hub

Explore breakthrough studies, simulation methodologies, and computational approaches in molecular science

Research Articles

When Molecules Meet Quantum Mechanics: A Century-Long Dance

Exploring the complex but fruitful relationship between molecular chemistry and quantum mechanics, celebrating the International Year of Quantum Science and Technology 2025.

Sofia Henderson
Nov 15, 2025

When a Perfect Theory Falls Short: The Curious Case of Vibrating Hydrogen on Copper

Exploring the quantum mystery of why the Born-Oppenheimer static surface model fails to predict hydrogen vibrational excitation on copper surfaces.

Gabriel Morgan
Oct 20, 2025

The Quantum Dance: How Electrons and Nuclei Shape Chemistry in Real Time

Exploring the intricate dance between electrons and nuclei that governs chemical reactions in real time, with breakthrough experimental techniques revealing these ultrafast processes.

Mason Cooper
Aug 11, 2025

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