Overview of the Computational Chemistry
Overview of the Computational Chemistry
Computational chemistry uses computer simulations to assist in solving chemical problem. Nowadays, computational chemistry has gained great importance in the field of chemistry and material sciences. Synthetic and computational chemistry group is led by Dr Mazhar Amjad Gilani. The focus of our group is the synthesis of materials related to different applications (gas separation & biological) and DFT investigations to support the observed results. One of our key areas of research is the theoretical design of high – performance nonlinear optical properties. We employ the strategy of introducing the excess electrons over the various nanocages.
Computational chemistry uses computer simulations to assist in solving chemical problem. Nowadays, computational chemistry has gained great importance in the field of chemistry and material sciences. Synthetic and computational chemistry group is led by Dr Mazhar Amjad Gilani. The focus of our group is the synthesis of materials related to different applications (gas separation & biological) and DFT investigations to support the observed results. One of our key areas of research is the theoretical design of high – performance nonlinear optical properties. We employ the strategy of introducing the excess electrons over the various nanocages.
RESEARCH FOCUS: Our key areas of research include DFT investigation in sensing, drug delivery, catalysis, nonlinear optics and separation science.
RESEARCH FOCUS: Our key areas of research include DFT investigation in sensing, drug delivery, catalysis, nonlinear optics and separation science.