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 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 ...

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 joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational method that can efficiently determine the crystal structures of multiphase ...

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, ...

A new study has developed a powerful computational method that can detect how genes interact with each other to influence complex traits in humans at a scale previously impossible. The new method was ...