Molecular Dynamics Research Hub

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

Research Articles

Quantum Leaps: Cracking Water's Molecular Code with Diatomics-In-Molecules

Exploring how quantitative diatomics-in-molecules models are revolutionizing our understanding of water's quantum mechanical nature and behavior.

Kennedy Cole
Oct 24, 2025

The String-Like Secret of Water: How Molecular Defects Explain Water's Strange Behavior

Discover how string-like propagation of five-coordinated defects explains water's mysterious properties at supercooled temperatures through molecular dynamics research.

Robert West
Oct 12, 2025

The Hidden Architecture of Water: The Invisible Skin on Every Surface

Discover how water forms structured layers at the nanoscale next to various surfaces, from hydrophilic to hydrophobic substrates.

Charlotte Hughes
Oct 08, 2025

The Invisible Dance of H₂O: Exploring Water Through Virtual Worlds

Discover how virtual environments and molecular simulations are revolutionizing our understanding of water's molecular behavior for science education and research.

Ellie Ward
Oct 02, 2025

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