Molecular Dynamics Research Hub

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

Research Articles

The Secret Dance of Soap: How Water Organizes Around a Split-Personality Molecule

Discover how supercomputer simulations reveal the fascinating molecular choreography of soap molecules interacting with water through Ab Initio Molecular Dynamics.

Stella Jenkins
Aug 22, 2025

The Great Clay Swell: How Computer Simulations Unlock Earth's Tiny, Water-Hungry Sponges

Exploring how Molecular Dynamics simulations reveal the nano-scale behavior of mixed-layer clays and their swelling properties when hydrated.

Julian Foster
Aug 08, 2025

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