Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

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 ...

Understand scientific and engineering challenges. Realize the computational theories and methods behind the solutions. Computational Science and Engineering (CSE) at Michigan Technological University ...

A research team has delivered an overview of how computational tools are reshaping the design of nonnatural metabolic pathways—engineered biochemical routes that do not exist in nature but enable ...

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 ...

Consciousness may emerge not from code, but from the way living brains physically compute.

Computational fluorescence microscopy (CFM) requires accurate point spread function (PSF) characterization for high-quality ...

Every task we perform on a computer—whether number crunching, watching a video, or typing out an article—requires different ...

A May 2024 Reuters Institute and University of Oxford survey, which included more than 12,000 people from six countries, found that 21% of respondents on average have used ChatGPT professionally. This ...

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 ...