Kolkata, Jan 4: Computational chemistry can bypass lab experiments to predict properties of materials for further application, a leading scientist said at the 100th Indian Science Congress here Friday.
“With computers we do not need to perform lab experiments. We can bypass them and practically calculate the properties of molecules. Then from the properties you can predict where we can apply,” said Sourav Pal, director of National Chemical Laboratory, Pune.
According to Pal, the branch of computational chemistry which is in essence the use of computers to solve chemical problems has been doing reasonably well in India.
“It is doing reasonably well for a developing nation. We have been at it for the last 30 to 40 years in the background. Now we have got good hardware, what we need more is good human resource and how to use it,” he said.
“So far it is being used to design drugs and in material sciences in India. We have huge potential to develop it further and apply it in other areas,” said Pal.