Senior Computational Chemist

Placements24; United States; Hybrid; USD 55,000 - 73,000; Full time

Benefits offered by this job

Hybrid work arrangement

Access to HPC clusters

Professional development & conferences

Job summary

Placements24 seeks a Senior Computational Chemist to join its advanced R&D department in Welkom. You will develop and apply theoretical methods to predict molecular properties and reaction pathways, collaborating closely with experimental chemists to accelerate drug discovery and materials science.

The role emphasizes method development, high-throughput virtual screening, and data-driven workflows, with access to HPC clusters and modern software.

Qualifications

• PhD required in computational/theoretical chemistry or cheminformatics.
• Minimum 6 years of experience in computational chemistry with emphasis on method development and application.
• Strong programming skills in Python or similar for scripting and workflow automation.

Responsibilities

• Develop and apply computational chemistry methods, including DFT, molecular dynamics, and QSAR.
• Design and interpret simulation studies to predict properties, reactivity, and binding affinities.
• Collaborate with experimental teams to guide synthesis strategies and optimize conditions.
• Maintain databases of chemical structures and properties for data mining and analysis.
• Implement and optimize workflows for high-throughput virtual screening and lead optimization.
• Stay current with advancements in computational chemistry and cheminformatics.

Skills

Python programming

Molecular dynamics

DFT methods

Data analysis

Education

PhD in Computational Chemistry or related field

Tools

Gaussian

Schrödinger

AMBER

Job description

About the Role

Our client is seeking a highly skilled Senior Computational Chemist to join their advanced research and development department located in Welkom . This role is central to accelerating drug discovery and materials science through the application of sophisticated computational modeling and simulation techniques. You will be responsible for developing and applying theoretical methods to predict molecular properties, reaction pathways, and material behavior, working closely with experimental chemists and researchers. This position offers a unique opportunity to contribute to groundbreaking scientific projects in a collaborative environment that values innovation and cutting-edge technology.

Key Responsibilities

• Develop and apply computational chemistry methods, including DFT, molecular dynamics, and QSAR.
• Design and interpret simulation studies to predict molecular properties, reactivity, and binding affinities.
• Collaborate with experimental teams to guide synthesis strategies and optimize experimental conditions.
• Develop and maintain databases of chemical structures and properties for data mining and analysis.
• Implement and optimize computational workflows for high-throughput virtual screening and lead optimization.
• Stay current with the latest advancements in computational chemistry and cheminformatics.

Requirements

• PhD in Computational Chemistry, Theoretical Chemistry, Cheminformatics, or a related field.
• Minimum of 6 years of experience in computational chemistry, with a strong focus on method development and application.
• Proficiency in quantum mechanical calculations and molecular dynamics simulations.
• Experience with computational chemistry software packages (e.g., Gaussian, Schrödinger, AMBER).
• Strong programming skills (e.g., Python, Perl) for scripting and workflow automation.
• Excellent analytical and problem-solving skills, with the ability to communicate complex scientific concepts effectively.

Benefits

• Competitive salary and comprehensive benefits package.
• Opportunities for professional development and attending scientific conferences.
• Access to high-performance computing clusters and advanced software tools.
• A collaborative research environment in Welkom fostering scientific exchange.
• Hybrid work arrangement to promote work-life balance.