Molecular Dynamics Research Hub

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

Research Articles

The Tiny Quantum River: How Protons Dance Across Material Surfaces

Discover how proton hopping mechanisms at material interfaces could revolutionize clean energy technology through quantum simulation and machine learning.

Naomi Price
Oct 20, 2025

Bridging the Quantum Divide: How Tight-Binding Molecular Dynamics Simulates Reality

Explore how Tight-Binding Molecular Dynamics bridges quantum accuracy and computational feasibility in materials science simulations.

Samuel Rivera
Oct 13, 2025

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