A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

In recent years, research using artificial intelligence to predict material properties has advanced rapidly. Neural network ...

New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for super-large-scale atomic structures. This effective Hamiltonian method could ...

Although much of its discovery process is descriptive and qualitative, chemistry is fundamentally a quantitative science. It serves a wide range of human needs, activities, and concerns. The ...

Computational intelligence (CI) methods, including machine learning, deep learning, and evolutionary computation, are increasingly central to biomedical ...

The global transition toward low-carbon energy systems has accelerated the development of sustainable hydrogen technologies as a promising pathway for ...