Research Articles
Catching Molecules in Motion: How Computers Reveal Nature's Light-Driven Dance
Exploring how non-adiabatic ab initio molecular dynamics and machine learning are revolutionizing our understanding of photochemical processes
The Invisible Oven: How Controlling Temperature in a Digital World Unlocks the Secrets of Life
Explore how scientists control temperature in molecular dynamics simulations to study protein folding and biological processes at the atomic level.
Crystal MD: Simulating the Atomic World of Metals to Power Our Energy Future
Explore Crystal MD, a groundbreaking molecular dynamics software designed for BCC metals that enables unprecedented simulation of nuclear materials at atomic scale.