Research Articles
Beyond the Blizzard of Atoms: The Quest to Simulate Our Material World
Explore how scientists are using multiscale modeling to understand complex materials without tracking every single atom.
The Digital Tug-of-War: How Computers Decode the Dance of Life
Explore how computer simulations calculate forces between proteins and DNA, revealing the fundamental mechanics of life at the molecular level.
The AI Chemist: How Machine Learning is Revolutionizing Molecular Simulations
Explore how machine learning is transforming reactive molecular dynamics simulations, enabling unprecedented insights into chemical reactions and molecular behavior.
A Computational Dance: Unraveling the Secrets of Cesium Fluoride in Water
Explore how molecular dynamics simulations reveal the hidden behavior of cesium fluoride in aqueous solutions through computational microscopy.
Unlocking Nature's Secrets: How Intel Xeon Phi Supercharges Molecular Dynamics
Explore how Intel Xeon Phi coprocessor architecture dramatically accelerates molecular dynamics simulations through specialized optimization techniques.
The Atomic Dance of Clay: How Computer Simulations Help Us Build a Safer Future
Explore how molecular dynamics simulations reveal the atomic behavior of sodium bentonite clay, enabling safer nuclear waste containment solutions.
Unlocking the Protein Dance: How Computer Simulations and Network Theory Are Revealing Biology's Secrets
Explore how molecular dynamics simulations and graph theory combine to reveal the secrets of protein complexes and their dynamic functions in biology.
The Invisible Battlefield: How Radiation Reshapes Metals, Atom by Atom
Explore how molecular dynamics simulations reveal the atomic-scale mechanisms of plastic deformation nucleation in stressed crystallites under irradiation
Unfolding Nature's Secrets: How Computer Simulations Reveal Hidden Pockets in Flu Viruses
Discover how molecular dynamics simulations revealed the hidden 150-loop in neuraminidase, opening new possibilities for antiviral drug design against influenza viruses.
Unlocking Nature's Secret Pocket: How a Computer Simulated a Perfect Molecular Match
Explore how molecular dynamics simulations reveal the binding affinity between eucalyptol and beta-cyclodextrin inclusion complexes in this popular science article.