Research Articles
The Hidden Architecture of Metals: Why a Tiny Poke Can Tell a Grand Tale
Explore how crystallographic orientation influences material behavior under nanoindentation through Molecular Dynamics simulations.
The Atomic Superhighway: Mastering the Flow of Heat in Carbon Nanotubes
Explore how scientists use molecular dynamics simulations to control heat flow in carbon nanotubes, enabling thermal rectification and next-generation nano-electronics.
Unfolding a Microscopic Mystery: How Computers are Cracking the Code of Alzheimer's
Discover how first-principles modeling and the GNNQQNY peptide are helping scientists understand Alzheimer's disease at the atomic level.
The Ammonia Highway: How a Tiny Protein Keeps Cells Alive
Discover how the AmtB protein performs a life-sustaining magic trick, converting toxic ammonium ions into harmless ammonia gas through molecular dynamics simulations.
Bridging the Quantum Divide: How Tight-Binding Molecular Dynamics Simulates Reality
Explore how Tight-Binding Molecular Dynamics bridges quantum accuracy and computational feasibility in materials science simulations.
The String-Like Secret of Water: How Molecular Defects Explain Water's Strange Behavior
Discover how string-like propagation of five-coordinated defects explains water's mysterious properties at supercooled temperatures through molecular dynamics research.
The Molecular Cages That Could Revolutionize Everything From Medical Imaging to Pollution Control
Explore how molecular dynamics simulations reveal the potential of water-soluble cryptophanes in medical imaging and environmental applications.
Dancing with Light: How Scientists Are Harnessing Ultra-Intense Lasers to Control Molecules
Explore how ultra-intense lasers are revolutionizing molecular control, with breakthroughs in measurement techniques and applications across physics, medicine, and energy.
The Invisible Glue: How Molecular Handshakes Stabilize Carbon Nanotubes
Discover how peptide-peptide interactions provide crucial stability for carbon nanotube applications in nanotechnology and biomedicine.
Beyond the Beaker: How 1997 Research Revolutionized Environmental Chemistry
Exploring the groundbreaking 1997 research that transformed our understanding of chemical structure and dynamics at environmental interfaces