Research Articles
Crystal Seeds: The Tiny Puppeteers of Mineral Growth
Discover how crystal seeds actively manipulate ion pair formation in calcium carbonate crystallization through ReaxFF molecular dynamics simulations.
The Invisible Dance of Molecules: How Drifting Mass Accommodation Coefficients Revolutionize Phase Change Science
Discover how drifting mass accommodation coefficients challenge traditional physics and transform our understanding of phase change phenomena through molecular dynamics simulations.
Unlocking the Guardian: How a Molecular Switch Activates Our Cellular Defenses
Discover how molecular dynamics simulations reveal the phosphorylation mechanism that activates p47phox, a crucial immune system protein.
The Invisible Push: How Computers Predict the Limits of Carbon Nanotubes
Explore how molecular dynamics simulations and continuum shell models predict carbon nanotube buckling behavior under compressive forces.
The Invisible Lab: How Computers are Solving the World's Toughest Puzzles
Explore how computational science creates digital twins of reality to solve complex problems in drug discovery, climate science, and more through simulations.
The Glass That Flows: How Computer Simulations Unravel the Secrets of Liquid Alumina
Explore how molecular dynamics simulations reveal the atomic structure of liquid and amorphous alumina, enabling advances in materials science and technology.
The Protein Tango: How Computer Simulations Explain Clumping Diseases
Explore how molecular dynamics simulations reveal why protein concentration dramatically affects aggregation in diseases like Alzheimer's and Parkinson's.
The Invisible Dance: How Molecular Dynamics Reveals the Hidden Life of Metallic Glasses
Exploring how molecular dynamics simulations reveal the atomic-scale behavior of bulk metallic glasses, their deformation mechanisms, and potential applications.