Lead Computational Chemist

Placements24; South Africa; On-site; ZAR 1,200,000 - 2,000,000; Full time

Benefits offered by this job

Medical and dental insurance

Retirement fund

Professional development opportunities

Job summary

Placements24 seeks a Lead Computational Chemist in Tembisa, Gauteng to helm cutting-edge R&D in catalysis, drug discovery and materials science. You will guide a team, develop state-of-the-art quantum and molecular simulations, and communicate insights to stakeholders.

Strong leadership and a track record of publications are essential. The role requires a PhD and 7+ years of experience in computational chemistry, with expertise in DFT, MD, and high-performance computing environments.

Qualifications

• PhD in computational chemistry or related discipline with strong publication record.
• 7+ years hands-on computational chemistry research; 2+ years in leadership.
• Expertise in quantum chemistry methods (DFT, ab initio) and molecular modeling (MD, MC).

Responsibilities

• Lead and manage a team of computational chemists; provide scientific direction.
• Develop, implement, and validate advanced computational models and algorithms.
• Design and run large-scale molecular simulations and quantum calculations.
• Collaborate with experimental chemists and materials scientists to interpret results.
• Oversee integration of computational tools into drug discovery and materials design.
• Manage projects, timelines, resources and budgets.

Skills

Quantum chemistry

Molecular modeling

MD simulations

Monte Carlo

Python

C++

Data analysis

Team leadership

Education

Ph.D. 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.