Senior Computational Chemist

Placements24; Bloemfontein; Hybrid; ZAR 1,200,000 - 1,800,000; Full time

Benefits offered by this job

Competitive salary

Professional development

HPC access

Collaborative Welkom

Hybrid work

Job summary

Placements24 in Welkom is seeking a Senior Computational Chemist to accelerate drug discovery and materials science through advanced modeling and simulation.

You will develop and apply theoretical methods, collaborate with experimental chemists, and contribute to high-performance computing initiatives in a hybrid work setting.

Qualifications

• PhD in Computational Chemistry, Theoretical Chemistry, Cheminformatics, or related field.
• Minimum 6 years of experience in computational chemistry with method development.
• Strong programming skills in Python and Perl for scripting.

Responsibilities

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

Skills

Python

Perl

Quantum chemistry

Molecular dynamics

DFT

QSAR

Scripting

Workflow automation

Education

PhD in Computational Chemistry

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.