Fully Funded PhD Position (GRA) in Computational Chemistry jobs in University Of Malaya Federal Territory - Maukerja

Are you passionate about sustainable green energy and quantum chemistry?

We are looking for a highly motivated PhD candidate (Graduate Research Assistant) to join our dynamic research team at the Department of Chemistry, Universiti Malaya (UM). Step into the exciting interface of computational chemistry and advanced mass spectrometry to help us unlock next-generation hydrogen production!

Project Title: Understanding the Effectiveness of Water Splitting by Hydrated Vanadium Ions for Hydrogen Evolution in Gas Phase

What You Will Do

As a core researcher on this project, you will use advanced Quantum Chemistry methods to elucidate the catalytic mechanisms of hydrogen evolution. Your day-to-day will involve:

• Modeling & Simulation: Performing Density Functional Theory (DFT) and high-level ab initio calculations to model hydrated vanadium ions and gas-phase water splitting reactions.
• Mapping Pathways: Exploring potential energy surfaces, identifying intermediate structures, and locating transition states.
• Data Analysis: Evaluating thermodynamic properties (e.g., Gibbs free energy), spin states, and molecular orbitals to determine theoretical efficiency in water splitting.
• HPC Management: Running large-scale quantum chemical computations on High-Performance Computing (HPC) clusters and optimizing computational workflows.

Who We Are Looking For

• Education: Bachelor’s or Master’s degree in Chemistry, Materials Science, Physics, or a related field.
• Academic Excellence: For Bachelor’s graduates applying for a direct PhD, a CGPA > 3.7 is preferred. (Master's degree holders are highly encouraged to apply).
• Nationality: Candidate hold citizenship in Malaysia.
• Readiness: Must be eligible and prepared to register for the upcoming PhD intake.
• Skills: Strong interest in gas-phase ion chemistry and computational modeling.
• Proficiency in spoken and written English.

Why Join Us?

• Financial Support: Monthly allowance of RM 2,500 for up to 3 years (subject to performance).
• High-Demand Skills: Gain extensive, hands-on experience with industry-standard computational chemistry software (Gaussian, ORCA) and high-performance computing (HPC) environments.
• Prestige & Facilities: Conduct your research at UM, Malaysia’s premier university, with access to state-of-the-art facilities and a highly collaborative team.

How to Apply

Send your CV directly to:

Dr. Tang Wai Kit (Principal Investigator)

Department of Chemistry, Faculty of Science, Universiti Malaya, 50603 Kuala Lumpur

Email: *************