Research Articles
The Silent Guardian of Science: How an Erratum Sharpened Our View of Liquid Alumina
Exploring how a molecular dynamics erratum refined our understanding of liquid alumina and demonstrated science's self-correcting nature.
Cracking the Protein Puzzle: How a New Software Is Unfolding the Secrets of Life
Discover how pyrexMD, a powerful Python package, is revolutionizing molecular dynamics simulations to unlock the secrets of protein folding and disease mechanisms.
The Invisible Handshake: How Scientists Measure Heat’s Molecular Handoff
Explore how scientists use molecular dynamics simulations to quantify the Thermal Accommodation Coefficient for iron surfaces, unlocking secrets of atomic energy exchange.
The Ultimate Sieve: How Atom-by-Atom Simulations Are Revolutionizing Gas Separation
Explore how Molecular Dynamics simulations are designing nanofluidic systems for ultra-efficient gas separation, a breakthrough for carbon capture and clean air technology.
From Quantum Whispers to Molecular Motion: The Multiscale Magic of Force Fields
Explore how force fields bridge quantum mechanics to bulk material properties through multiscale modeling, from ab initio calculations to molecular-based equations of state.
Capturing Molecular Movies: How Ultrafast X-Rays Reveal Chemistry in Motion
Discover how ultrafast X-ray methods are revolutionizing our ability to observe molecular dynamics in real-time, from femtosecond bond changes to protein structural transformations.
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