Research Articles
Breaking the Quantum Code: How Scientists Are Achieving Near-Perfect Chemical Accuracy
Discover how scalable ab initio methods are achieving near-chemical accuracy in computational chemistry, revolutionizing drug design and materials science.
Just How Ab Initio is Ab Initio Quantum Chemistry? The Quest to Compute Reality from First Principles
Exploring the reality behind ab initio quantum chemistry - how truly first-principles are these calculations in practice?
Crystal Surfing: Predicting When Material Surfaces Flip Their Script
Scientists are using quantum physics and supercomputers to predict exactly when and why material surfaces undergo dramatic transformations.