Dr. Akbar completed his BSc and MSc from Aligarh Muslim University India. He graduated with Ph.D. in Chemistry from IIT Madras. His first and second Postdoc appointment was in the Department of Mechanical Engineering and Climate and Space Sciences and Engineering at Michigan Engineering (ME), and University of Michigan (UoM) Ann Arbor USA where he developed his interest in the field of combustion and atmospheric chemistry. He then moved to Sejong University Seoul South Korea as an Assistant Professor in the department of chemistry. Before joining Khalifa University in Aug 2022, he worked as an Assistant professor of Physical Chemistry at King Faisal University Saudi Arabia. His main research area is focused on gas phase Atmospheric Chemistry, Combustion Chemistry Catalysis, designing of new Materials for molecular electronics, and Organic Reaction Mechanisms on anti-cancer drugs by applying theoretical and computational approaches.
In this project, we apply quantum chemical methods in combination with statistical rate theory to predict the temperature and pressure branching ratios for novel biofuel molecules. We predict the reaction mechanism for thermal decomposition and oxidation of the fuel with the help of potential energy surfaces. Once the PES is constructed, the rate constants and branching ratios can be calculated.
In this project, we apply quantum chemical methods in combination with statistical rate theory to predict the temperature and pressure rate constants for atmospheric reactions. We predict the reaction mechanism for the photo-oxidation reaction and calculate the rate constant, atmopsheric lifetime and the product branching ratios.
In this project ,we design a new class novel materials for molecular electronics using Density Functional Theory and predict their stability.
Our computational/Theoretical Chemistry group is seeking a motivated PhD Fellow who can propose the reaction pathways for the photo-oxidation of amines/imines or similar reaction systems or combustion chemistry reaction by applying a Quantum Chemical Approach with advanced statistical rate theory. In our lab we use various kind of softwares ( Gaussian09/16, MolPro, CFour, MultiWell, MESMER, Polyrate/GaussRate, GaussView, Jmol, CYLview) to generate the Potential Energy Surface and predict the temperature and pressure dependent rate constants .
As part of the project, the PhD will have access to state-of-the-art method and KU High Performance Computation Facilities at Unix Environment . The PhD and Postdoc will will get an opportunity to work and collobrate with other well known scientist in this area.
Interested candidate can send their CV to akbar.mohamad@ku.ac.ae
