Research Articles
Cracking Metal's Secret Code: How Supercomputers Reveal Atomic Mysteries
Explore how parallel algorithms and big data are revolutionizing molecular dynamics simulations of liquid metal solidification at atomic scale.
The Digital Alchemist: Simulating the Secret Life of Molten Slag
How supercomputers are unlocking the recipes of ancient industrial magic through molecular dynamics simulations of molten slag systems.
The Invisible Universe: Celebrating 50 Years of Molecular Dynamics
Explore the 50-year journey of molecular dynamics, a revolutionary computational tool that reveals atomic-scale processes in biology, chemistry, and materials science.
The Hidden Flaws: How Tiny Defects Make Explosives More Powerful
Discover how molecular dynamics simulations reveal how microscopic defects control explosive sensitivity and power through computational analysis.
The Invisible Engine of Virtual Molecules: How Implicit Integration Powers Scientific Discovery
Explore how implicit integration methods enable efficient molecular dynamics simulations by constraining fast bond vibrations, allowing scientists to study complex biological processes.
The Invisible Hum of Glass: Listening to Atoms with a Supercomputer
Explore how molecular dynamics reveals the vibrational secrets of SiO₂ surfaces through computational simulations
The Secret, Slow-Motion Dance of Molecules
Discover how scientists uncover ultraslow molecular dynamics in organized fluids using NMR experiments and Monte-Carlo simulations.
The Invisible Fault Lines: How Single Atoms Can Make or Break a Metal
Explore how molecular dynamics simulations reveal how single atoms at grain boundaries dramatically affect metal strength and durability.
Catching Molecules in Motion: How Computers Reveal Nature's Hidden Light Show
Explore how non-adiabatic molecular dynamics simulations reveal the femtosecond-scale transformations of molecules after light absorption, with applications from solar energy to medicine.
The Atomic Ballet: How Computers Simulate a Shape-Shifting Metal
Explore how molecular dynamics simulations reveal the thermally induced martensitic transformation in NiAl, a fascinating atomic-scale process.