In my teaching, I do not have a mandatory attendance policy. Students know that coming to class will improve their learning, ...

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

These digital tools allow users to run code, see the results and take notes in one document. The notebooks allow engineering students to see instructional notes and diagrams, solve problems and ...

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 ...

BUFFALO, N.Y. — A University at Buffalo summer workshop program, backed by a $500,000 grant from the National Science Foundation, will teach chemistry students how to use artificial intelligence.

Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, ...