Research Articles
The Molecular Origami: How Scientists Fold Reality from Atoms to Engines
Explore how scientists use multiscale approaches to derive force fields, from quantum calculations to macroscopic equations of state, enabling revolutionary material design.
The Molecular Dance Floor: Predicting Chemistry's Moves with Force Fields
Explore how empirical force fields revolutionize chemical reaction simulations, enabling accurate predictions of molecular behavior at unprecedented scales.
The Secret Life of Mud: How Water Shapes Nature's Nanocomposites
Exploring how water mediates the extraordinary strength of clay-polysaccharide nanocomposites through molecular dynamics simulations.