CHEMISTRY  Department

 

News from Computational Chemistry Group headed by Dr. Mazhar Amjad Gilani

Computational Group of the Department of Chemistry is actively involved in cutting edge research as students are being able to publish in leading journals in small span of time. Here is a list of their recent achievements.

  • Muhammad Suhail, MS student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting his MS research work entitled “Influence of bi-alkali metals doping over Al12N12 nanocage on stability and optoelectronic properties: A DFT investigation” published in Radiation Physics and Chemistry (IF=2.858).
  • Faiqa Khaliq, MS student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting her research work entitled “Exploring Li4N and Li4O super alkalis as efficient dopants for the Al12N12 nanocage to design high performance nonlinear optical materials with high thermodynamic stability” published in Polyhedron (IF=3.052).
  • Faiqa Khaliq, MS student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting her MS research work entitled “First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability” published in Materials Science in Semiconductor Processing (IF=3.927).
  • Palwasha Khan, MS student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting her MS research work entitled “Turning diamondoids into nonlinear optical materials by alkali metal Substitution: A DFT investigation” published in Optics and Laser Technology (IF=3.867).
  • Alina Waheed, MS student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting her MS research work entitled “A Systematic and Comparative Analysis of Four Major Classes of DFT Functionals to Compute Linear and Nonlinear Optical Properties of Benchmark Molecules” published in journal of Computational Biophysics and Chemistry (IF=0.939).
  • Junaid Yaqoob, PhD student under the supervision of Dr. Mazhar Amjad Gilani, is successful in getting his research work entitled “An effective strategy for tuning nonlinear optical response of N-atom functionalized corannulene by alkali metals doping: First theoretical insight” published in journal of Computational and Theoretical Chemistry (IF=1.926).
  • Rimsha Baloch, MS student under the supervision of Prof. Anila Asif, is successful in getting her research work entitled “A New Strategy of bi‑Alkali Metal Doping to Design Boron Phosphide Nanocages of High Nonlinear Optical Response with Better Thermodynamic Stability” published in Journal of Inorganic and Organometallic Polymers and Materials (IF=3.13).