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Research Scientist in Computational Chemistry
3 weeks ago
Role Summary
We are seeking a highly skilled Research Fellow in Theoretical Quantum Chemistry to contribute to the development of high-throughput quantum chemistry workflows.
Key Responsibilities- Workflow Automation
- Design and implement automated workflows for job preparation, submission, analysis, and visualisation using Python scripting or equivalent.
- High-Performance Calculations
- Conduct accurate wavefunction calculations on high-performance computer clusters to generate ab initio reference benchmarks.
- Research Collaboration and Publication
- Work closely with industry partners, analyse data, and contribute to research publications and grant applications.
- Mentorship and Supervision
- Participate in the supervision and mentoring of research students within the research group.
- Research Output
- Conduct internationally competitive research in theoretical quantum chemistry, resulting in publications in reputable journals.
Requirements:
- A PhD (or near completion) in Theoretical Quantum Chemistry or a related field is required.
- Experience in developing and/or applying quantum-chemical wavefunction methods to molecular systems is essential.
- A strong publication record commensurate with experience is necessary.
- Excellent interpersonal, written, and oral communication skills in English are required.
- Strong organisational skills and the ability to meet deadlines and complete projects are essential.
- Expertise in machine learning and/or programming is highly desirable.
