Artificial Intelligence as a key Complementary Element to Multiscale Chemistry
9:30 am - 9:45 am
This talk I will review the developments and advances of computational chemistry, including the emergence of the field, the development of physically based simulations. I will also consider the development of CG models for modeling very large systems. The effect of the enormous increase in computer power will also be considered. Studies of key developments in exploring enzyme action and in enzyme design as well as of drug design will be given as examples. I will consider the current problems with the accuracy of simulations results and the alternative direction of using Artificial Intelligence.
