Research Articles
Beyond Static Snapshots: How Polarizable Force Fields Are Revealing Molecules' True Dynamic Nature
Exploring how polarizable force fields are revolutionizing molecular simulations by capturing electron dynamics in biological systems.
The Invisible World in Motion: How Molecular Simulations Revolutionize Science
Explore how molecular simulations serve as computational microscopes, revealing atomic-level processes that drive scientific discovery in drug development, materials science, and clean energy.
The Crystal Shapeshifter: How Scientists Simulate and Control the Forms of Cr₂O₃
Explore how scientists use computer simulations and experiments to predict and control the growth of Cr₂O₃ crystal morphologies for next-generation materials.
Decoding Life's Secrets: How Computers Are Revolutionizing Molecular Biology
Explore how computational approaches are transforming molecular biology, enabling scientists to understand life at its most fundamental level through digital simulations and data analysis.
The Hidden Science of Explosions: How Shockwaves Trigger Chemical Mayhem
Explore the fascinating science behind shock-induced reactions in high explosives, from molecular dynamics to energy localization and chemical transformations.
Beyond Atoms & Equations: The Quantum Dance Revealed by Ab Initio Molecular Dynamics
Exploring how Ab Initio Molecular Dynamics reveals the quantum nature of chemical processes through proton tunneling in water dissociation.