Molecular Dynamics Research Hub

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

Research Articles

The Invisible Guardian: How Ionic Liquids Shield DNA in a Molecular Embrace

Discover how ionic liquids protect DNA through the groove binding mechanism, enabling long-term stability and preservation of genetic material.

Bella Sanders
Nov 02, 2025

The Invisible Layer: How Computer Simulations Decode Surface Secrets

Discover how computational chemistry and sum frequency generation spectroscopy reveal molecular secrets at liquid interfaces, with applications in green chemistry and materials design.

Skylar Hayes
Oct 19, 2025

The Invisible Carpet: How Ionic Liquid Coatings Revolutionize Surface Science

Explore how ionic liquid wetting layers are transforming surface science and catalysis through nanoscale organization and molecular precision.

Jacob Howard
Oct 18, 2025

Digital Alchemists: Simulating the Next Generation of Green Solvents

Explore how molecular dynamics simulations are revolutionizing the design of tetra-butylphosphonium amino acid ionic liquids as sustainable green solvents.

Benjamin Bennett
Oct 07, 2025

Unveiling the Hidden Forces in Ionic Liquids: How Low-Frequency Spectroscopy Decodes Molecular Secrets

Explore how low-frequency spectroscopy reveals the interplay of Coulomb forces, hydrogen bonding, and dispersion forces in ionic liquids, enabling tailored materials for advanced applications.

Ellie Ward
Aug 22, 2025

The Hidden Dance of Water in Ionic Liquids: How Hydrogen and Deuterium Reveal a Secret World

Exploring how hydrogen and deuterium reveal water's hidden role in ionic liquids through isotopic effects and molecular dynamics

Nora Murphy
Aug 08, 2025

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