Project Title: Recruitment of Project Staff for COEOGE through donation fund.
About the project: The negative impact of increasing global CO2 emissions and climate change has sparked significant academic and industrial interest in converting CO2 into fuels and other valuable products. This strategy offers a dual benefit of lowering CO2 emissions and producing beneficial chemicals. CO2 hydrogenation to methanol is a promising pathway for sustainable energy production and CO2 utilization. Methanol, a versatile and widely used chemical, holds great potential as a renewable energy carrier and a precursor for various industrial processes. However, the direct hydrogenation of CO2 to methanol is a complex and energy-intensive process that requires the use of catalysts. Catalysts play a crucial role in facilitating the conversion of CO2 to methanol by providing an active surface for the reaction and promoting the desired reaction pathways. Unfortunately, the development of highly efficient and selective catalysts for this reaction remains a significant scientific and technological challenge. The current catalysts (typically copper-based catalysts) for this process suffer from low selectivity and conversion rates, limiting their commercial viability. Additionally, the reaction mechanism and kinetics of this process are not yet fully understood, hindering the rational design and optimization of catalysts. Therefore, there is a need to develop a highly efficient catalyst for CO2 hydrogenation to methanol to improve this process’s overall efficiency and viability. The combined experimental and computational approach proposed in this project will provide valuable insights into the reaction mechanism, catalyst behavior, and structure-activity relationships. By integrating experimental data and computational predictions, the project seeks to bridge the gap between theory and experiment, leading to a deeper understanding of the underlying processes and guiding the rational design and optimization of catalysts for CO2 hydrogenation to methanol.
Qualification & Experience:
1. Fresh PhDs or PhDs with experience or research scholars who have submitted a thesis and are awaiting an examination, in chemistry, chemical engineering, materials science, or a related field with a strong emphasis on computational catalysis. 2. Expertise in DFT and quantum mechanical simulations with a proven track record of applying computational methods to study chemical reactions and catalytic processes. 3. Proficiency in computational chemistry software packages (e.g., Gaussian, VASP, ORCA) and programming languages commonly used in scientific computing (e.g., Python, MATLAB). 4. Solid understanding of surface science, catalysis, and reaction mechanisms, preferably with experience in the study of heterogeneous catalytic systems.
Age Limit: 32 Years
Tenure: The position is temporary for 1 year and tenable only for the duration of the project.
Job Profile: The primary objective of this position is to employ Density Functional Theory (DFT) and related computational techniques to elucidate the intricate mechanisms underlying CO2 hydrogenation to methanol and to guide the design of novel catalysts with enhanced efficiency and selectivity. As the computational lead, the candidate will collaborate closely with experimental researchers to integrate computational predictions with experimental observations, thereby advancing our understanding of catalyst behavior and structure-activity relationships. The work will involve performing advanced quantum mechanical simulations, analyzing reaction pathways, and characterizing catalyst surfaces to identify key factors influencing catalytic performance.
Fellowship: Consolidated salary Rs. 80,000 p.m. + HRA
How to apply: Interested Candidate can apply through the following link
Application Deadline: 29th November 2024.
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