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 ...

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 ...

Bioinformatics and computational biology represent inter‐related disciplines that harness computational methods, statistical models and algorithmic innovations to decode, organise and interpret ...

WEST LAFAYETTE, Ind. — With recent advances, cancer research now generates vast amounts of information. The data could help researchers detect patterns in cancer cells and stop their growth, but the ...

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 ...

As soon as you enter Schrödinger’s headquarters, on the 24th floor of a building in New York City’s Times Square, the company’s association with chemistry and physics is evident. Rooms are named after ...

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

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 ...

A new computational model of the brain based closely on its biology and physiology not only learned a simple visual category ...

Data storage and data processing have always been separate functions, but what if they could be unified and achieve much better performance? That’s the promise of computational storage. Although media ...