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 ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

Materials Science Physical Chemistry Energy Synthesis Earth, Space, and Environmental Chemistry Choose from more than 200 courses in seven different categories, taught by experts in the chemistry ...

Surrounded by lush forests, Oak Ridge National Laboratory sits in a secluded mountain valley in eastern Tennessee. Visitors often travel to the federal research complex to tour historic sites where ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

A new study has developed a powerful computational method that can detect how genes interact with each other to influence ...

Students in our program develop a strong foundation in basic chemistry, as well as exposure to a wide range of technologies that are specific to the analysis of biological systems. This gives them a ...

When ultraviolet light hits ice—whether in Earth's polar regions or on distant planets—it triggers a cascade of chemical reactions that have puzzled scientists for decades.

ByteDance, the Chinese parent company of TikTok, appears to be ramping up work in fields well beyond the bounds of social media: Biology, chemistry, natural sciences and pharmaceuticals. The ...

David Baker, Demis Hassabis and John Jumper shared the Nobel prize in chemistry for work that revolutionized our understanding of protein structure. When you purchase through links on our site, we may ...