Research Articles
The Ultimate Molecular Movie: Capturing Chemistry at Light Speed
Exploring ultrafast molecular dynamics through quantum, semiclassical, and classical approaches in light-matter interactions.
The DNA Detective: How One Wrong Letter Topples Tiny Genetic Bridges
Exploring how single nucleotide defects affect DNA duplex stability through molecular dynamics and microarray experiments, with implications for genetic diagnostics.
The Hidden Architecture of Glass: Strontium, Aluminum, and Silicon Under the Microscope
Exploring the atomic architecture of strontium-aluminosilicate glasses through NMR and molecular dynamics simulations
The Xylene Puzzle: How Molecular Sleuths Cracked a Chemical Mystery
How molecular dynamics simulations revealed Cu-HKUST-1's ability to separate xylene isomers, a critical challenge in petrochemical industry
The Quantum Dance: How Electrons and Nuclei Shape Chemistry in Real Time
Exploring the intricate dance between electrons and nuclei that governs chemical reactions in real time, with breakthrough experimental techniques revealing these ultrafast processes.
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.
The Secret Life of Metallic Glass: How Supercomputer Simulations Reveal Atoms in Motion
Exploring bulk metallic glasses through molecular dynamics simulations, revealing their atomic structure and mechanical properties.
The Molecular Dance of Clay, Water, and Acid: How a Tiny Mineral Shapes Planets and Clean Technology
Discover how sodium montmorillonite clay interacts with formic acid and water at high temperatures, revealing insights about planetary evolution and clean technology applications.
The Nano-Symmetry Revolution: How Twisted Science is Unlocking Tomorrow's Tech
Exploring the breakthrough in quasi-1D nanostructures research through symmetry-adapted tight-binding molecular dynamics
The Invisible Dance of Life: How Supercomputers Simulate Living Molecules with Quantum Precision
Exploring how NAMD's polarizable force fields and supercomputers reveal the quantum dance of biomolecules through advanced molecular dynamics simulations.