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 ...
Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that omits traditional physics constraints like energy conservation and equivariance.
Jian Jiang's team at the Institute of Chemistry, Chinese Academy of Sciences, recently published an article that focuses on the core bottlenecks of ...
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 ...
KAWASAKI, Japan, Dec 1, 2025 - (JCN Newswire) - - Fujitsu today announced the successful development of a technology for molecular dynamics (MD) simulation that enables atomic-level structural ...