Molecular Dynamics Research Hub

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

Research Articles

From Quantum Whispers to Molecular Motion: The Multiscale Magic of Force Fields

Explore how force fields bridge quantum mechanics to bulk material properties through multiscale modeling, from ab initio calculations to molecular-based equations of state.

Charlotte Hughes
Aug 11, 2025

Molecular Matchmakers: How Computer Models Predict Nature's Tiny Dances

Exploring how force fields predict protein-ligand interactions through the flavodoxin-FMN system, with comparative analysis of computational models.

Samantha Morgan
Aug 08, 2025

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