qubitsok.com
Cut Noise. Work Quantum.
Europe, Ireland, Galway City
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Posted 55 days ago
🎓 University of Galway
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EUR 25K - 25K per year
Role Type
Role Focus
Seniority
Employer Type
This is a fully funded PhD scholarship based at the Combustion Chemistry Centre at the University of Galway, Ireland. The main focus is performing high-level quantum chemistry calculations for key reactions in ammonia combustion models. Key responsibilities include conducting research, publishing findings in international journals, mentoring undergraduate students, and managing documentation related to project deliverables.
Key Responsibilities
Carry out high-level quantum chemistry calculations for key reactions in combustion chemistry models.
Write and publish findings in international peer-reviewed journals.
Supervise and mentor undergraduate students in quantum chemistry calculations.
Manage the recording, interpretation, and validation of experimental data, and disseminate project results and outcomes.
Ensure adherence to research programme documentation requirements, milestones, and key deliverables.
Required Skills
Good writing skills.
Excellent communication skills.
Ability to work independently.
Ability to work as part of a team.
Self-motivation.
High level of initiative.
Excellent attention to detail.
Technology Tags
High-level ab initio calculations, especially for complex chemical reactions, typically require significant computational resources provided by HPC.
Implementing and executing high-level computational chemistry models requires proficiency in classical programming languages.
Determining minimum energy structures and transition states for chemical reactions requires extensive optimization algorithms.
The project involves simulating key reactions in combustion chemistry using computational methods.
The project involves modeling and simulating chemical reactions which are inherently governed by molecular physics principles.
High-level ab initio calculations often involve calculating thermodynamic properties like entropy to determine reaction kinetics.