A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

The COVID-19 pandemic was an all-hands-on-deck event for scientists. Researchers of all stripes looked for ways they could help treat or stop the spread of the SARS-CoV-2 virus, and computational ...

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 ...

A team of physicists has developed a groundbreaking method for detecting congestive heart failure with greater ease and precision than previously thought possible. This multidisciplinary study, ...

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 ...