Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

In a sense, it sounds like that’s another facet of computational thinking that’s more relevant in the age of AI—the abstractions of statistics and probability in addition to algorithms and data ...

Researchers from Kyushu University have developed an innovative computational method, called ddHodge, that can reconstruct ...

The process of updating deep learning/AI models when they face new tasks or must accommodate changes in data can have significant costs in terms of computational resources and energy consumption.

A new theoretical framework argues that the long-standing split between computational functionalism and biological naturalism misses how real brains actually compute.

In addition to an interest in computer modeling and statistical analysis methods, a career in computational chemistry requires patience, logical thinking, and attention to detail. “People skills” are ...