Cleveland Clinic, with IBM and Japan's RIKEN, has achieved the largest-ever quantum simulation of protein structure.

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

Record-setting scale: Researchers simulated protein-ligand complexes up to 12,635 atoms, the largest hybrid quantum-classical chemistry calculation for a biologically relevant system. Hybrid workflow: ...

Researchers are preparing an experiment to explore whether time can exist in a quantum superposition, using ultra-precise ...