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

Researchers from Google DeepMind, BIFOLD, and TU Berlin have unveiled AI models that simulate molecular behavior without hard-coded physical laws, achieving competitive results through massive ...

Computational methods have revolutionised drug design by integrating molecular dynamics simulations with advanced free energy calculations. This approach allows researchers to predict binding ...

CuspAI in Cambridge, this medium's reigning Business of the Year, has notched another major coup through an alliance with ...

Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...

Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...

Jian Jiang's team at the Institute of Chemistry, Chinese Academy of Sciences, recently published an article that focuses on the core bottlenecks of ...