Research Articles
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.
From Quantum Dots to Cosmic Dawn: How Computer Simulations Unlock the Universe's Secrets
How the tiniest calculations on Earth are solving the biggest mysteries in space through electronic structure calculations.
The Salty Science of Simulations: How Computer Models Reveal Water's Hidden Secrets
Explore how molecular dynamics simulations reveal the hidden behavior of sodium chloride in water at different concentrations and its implications for science and technology.
The Concentration Paradox: How Molecular Dynamics Simulations Reveal Protein Aggregation Secrets
Exploring how molecular dynamics simulations uncover the mechanisms behind protein aggregation at different concentrations, with implications for neurodegenerative diseases and biotherapeutics.
The Invisible Battlefield: How Digital Microscopes Reveal Why Water Beads, Spreads, or Sticks
Exploring wettability through molecular dynamics and coarse-grain simulations, revealing atomic-scale interactions between liquids and solids.