Lead Computational Chemist

Placements24; Kempton Park; On-site; ZAR 1,000,000 - 1,800,000; Full time

Job summary

Placements24 is seeking a Lead Computational Chemist in Gauteng to head cutting-edge R&D initiatives. You will drive computational modeling for drug discovery, catalysis, and materials science, guiding a team of scientists and collaborating with experimental groups.

The role emphasizes advanced simulations, HPC, and strategic input. The ideal candidate has a PhD in Computational Chemistry with 7+ years of hands-on experience, including leadership, and is proficient with major software packages

Qualifications

• PhD in Computational Chemistry or related field required.
• At least 7 years of hands-on computational chemistry experience.
• 2+ years in a leadership or supervisory role.
• Strong programming and data analysis skills.

Responsibilities

• Lead and mentor a team of computational chemists.
• Develop and validate advanced computational models.
• Run large-scale molecular simulations and quantum calculations.
• Collaborate with experimental chemists and materials scientists.
• Oversee integration of computational tools into R&D pipelines.
• Manage timelines, resources and budgets for projects.
• Stay updated on cheminformatics and HPC developments.
• Communicate findings via reports and presentations.
• Contribute to strategic planning of R&D efforts.

Skills

7+ years experience

Leadership capabilities

Strong communication

Programming in Python/C++

Quantum chemistry knowledge

Education

PhD in Computational Chemistry

Tools

Gaussian

ORCA

LAMMPS

GROMACS

Schrödinger Suite

Job description

About the Role

Our client, a globally recognized leader in chemical innovation, is seeking an exceptional Lead Computational Chemist to spearhead their cutting-edge research and development initiatives in Tembisa, Gauteng. This pivotal role involves leveraging advanced computational modeling and simulation techniques to drive the discovery and design of novel chemical compounds and materials. The Lead Computational Chemist will guide a team of talented scientists, foster a culture of innovation, and ensure the seamless integration of computational chemistry into the broader R&D strategy. This position is ideal for an experienced professional who is passionate about applying theoretical principles to solve real-world challenges in areas such as catalysis, drug discovery, and material science. You will be responsible for developing and implementing state-of-the-art computational methodologies, managing complex simulation projects, and effectively communicating complex scientific insights to both technical and non-technical stakeholders. The role demands a deep understanding of quantum mechanics, molecular dynamics, and statistical mechanics, coupled with expertise in relevant software packages. This is a fantastic opportunity to shape the future of chemical research within a supportive and forward-thinking organization based in the vibrant region of Tembisa, Gauteng.

Key Responsibilities

• Lead and manage a team of computational chemists, providing scientific direction and mentorship.
• Develop, implement, and validate advanced computational chemistry models and algorithms.
• Design and execute large-scale molecular simulations and quantum mechanical calculations to predict chemical properties and reaction pathways.
• Collaborate closely with experimental chemists and material scientists to interpret results and guide research efforts.
• Oversee the integration of computational tools into the drug discovery and materials design pipelines.
• Manage project timelines, resources, and budgets for computational chemistry initiatives.
• Stay current with the latest advancements in computational chemistry, cheminformatics, and related fields.
• Communicate research findings effectively through presentations, technical reports, and publications.
• Contribute to the strategic planning of R&D efforts, identifying new opportunities for computational chemistry applications.
• Ensure the efficient utilization of high-performance computing resources.

Requirements

• Ph.D. in Computational Chemistry, Theoretical Chemistry, Physical Chemistry, or a related discipline.
• Minimum of 7 years of hands-on experience in computational chemistry research, with at least 2 years in a leadership or supervisory role.
• Expertise in quantum chemistry methods (e.g., DFT, ab initio) and molecular modeling techniques (e.g., MD, Monte Carlo).
• Proficiency with computational chemistry software packages such as Gaussian, ORCA, LAMMPS, GROMACS, Schrödinger Suite, or similar.
• Strong programming skills (e.g., Python, C++) and experience with data analysis and visualization tools.
• Demonstrated ability to lead and mentor research teams effectively.
• Excellent communication, presentation, and interpersonal skills.
• Proven track record of publications in high-impact peer-reviewed journals.
• Experience in applying computational methods to solve problems in drug discovery, catalysis, or materials science.
• Familiarity with high-performance computing environments is essential.

Benefits

Our client offers a highly competitive salary, comprehensive medical and dental insurance, a generous retirement fund, and significant opportunities for professional development and conference attendance. Employees benefit from access to cutting-edge computational resources and a collaborative research environment. We provide a supportive work-life balance and opportunities for career advancement within the organization. This role, located in Tembisa, Gauteng, comes with performance-based bonuses and the chance to make a significant impact in the field of chemical innovation.