Research Articles
The Invisible Dance: How Molecular Simulations Guide Biomaterial Design
Explore how molecular dynamics simulations revolutionize biomaterial design at the atomic level, enabling precise medical implant and drug delivery system development.
Peering into Molten Magic: How Computer Simulations Decode Industrial Slag
Explore how molecular dynamics simulations reveal the atomic structure of industrial slags in steelmaking processes.
The Invisible Fault Lines: How Tiny Defects Shape the Strength of Metals
Explore how molecular dynamics simulations reveal how self-interstitial atoms at grain boundaries affect metal strength and properties.
Catching Molecules in the Act: How Computers Reveal Nature's Ultrafast Light Shows
Explore how non-adiabatic ab initio molecular dynamics reveals ultrafast photochemical processes with machine learning and computational methods.
The Invisible Dance of Atoms: How Computer Simulations Decode Ionic Liquid Analogues
Explore how molecular dynamics simulations and vibrational analysis reveal the atomic secrets of ionic liquid analogues and deep eutectic solvents.
Seeing the Unseeable: How Molecular Dynamics Simulations Unlock the Secrets of Liquid Crystals
Explore how molecular dynamics simulations reveal the atomic-level behavior of liquid crystals, the exotic materials powering modern displays and future technologies.
Molecular Dance-Offs: How Computers Simulate Chemical Reactions in Motion
Explore how classical molecular dynamics simulates chemical reactions through atomic-scale dance of bond formation and breaking in complex systems.