The authors devise an efficient quantum approach to address the van der Waals interactions due to photoexcitations by approximating the Bethe-Salpeter equation. Both attractive/repulsive forces can ...

Background Annually, 4% of the global population undergoes non-cardiac surgery, with 30% of those patients having at least ...

A machine learning approach could allow computers to determine the electronic structure of molecules without having to use the most resource-intensive equations of density functional theory, new ...

The XGBoost model predicts hyperglycemia risk in psoriasis patients with high accuracy, achieving an AUC of 0.821 in the training set. A web-based calculator was developed to facilitate personalized ...

Recent innovations of computer calculation and artificial intelligence in radiotherapy resulted in rapid advancements in various aspects in cancer treatment such as treatment planning, ...

Existing computers can calculate the exact properties of only the smallest molecules thanks to the mathematical complexity of quantum mechanics. So chemists have invented methods, including force ...

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

Researchers at the DIII-D National Fusion Facility achieved a scientific first this month when they used machine learning calculations to automatically prevent fusion plasma disruptions in real time, ...

Physics-based simulations, that staple of traditional HPC, may be evolving toward an emerging, AI-based technique that could radically accelerate simulation runs while cutting costs. Called “surrogate ...