Introduction to a wide range of computational techniques for engineering design. Modeling, simulation, optimization, design software, examples/projects with emphasis on computational techniques for ...

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 ...

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

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 ...

Protein engineering is a powerful biotechnological process that focuses on creating new enzymes or proteins and improving the functions of existing ones by manipulating their natural macromolecular ...