Molecular Dynamics Research Hub

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

Research Articles

The Quantum Code-Breakers: How a New Algorithm is Unlocking Nature's Blueprints

Discover how the SCAN density functional is revolutionizing materials science by accurately predicting atomic structures and energies across diverse bonding systems.

Camila Jenkins
Oct 09, 2025

Unlocking Catalysis Secrets: How Computer Simulations Revolutionize Clean Energy Materials

Explore how first-principles computer simulations are transforming our understanding of metal oxide catalysts for clean energy applications.

Natalie Ross
Aug 09, 2025

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