Senior Computational Chemist - Remote

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

Benefits offered by this job

Competitive salary

Health and retirement benefits

Fully remote structure

Job summary

Placements24 is seeking a Senior Computational Chemist for a remote research role. You will design and optimize chemical structures using QM, MD, and molecular modeling, collaborating with global teams while contributing to new materials and processes.

The ideal candidate holds a PhD and 5+ years experience, proficient in Gaussian, AMBER, LAMMPS, and Schrödinger, with Python or C++ scripting, and proven ability to work independently in a remote setup.

Qualifications

• Ph.D. in Computational Chemistry, Physical Chemistry, Chemical Engineering, or a related field.
• Minimum of 5 years of post-doctoral or industry experience in computational chemistry with a focus on modeling and simulation.
• Proficiency with Gaussian, AMBER, LAMMPS, Schrödinger suite or equivalent.
• Strong knowledge of quantum mechanics, statistical mechanics and physical organic chemistry.
• Experience in Python or C++ for scripting and workflow automation.
• Excellent analytical and problem-solving skills.
• Ability to work independently and manage remote projects.
• Strong communication and collaboration abilities.

Responsibilities

• Develop and apply computational chemistry techniques, incl. molecular modeling, QM, and MD.
• Design and predict properties of novel molecules and materials using computational tools.
• Collaborate with experimental chemists and materials scientists to guide synthesis and characterization.
• Analyze large datasets to extract insights and structure-property relationships.
• Develop robust computational workflows and pipelines for automated analysis.
• Contribute to new computational methodologies and software tools.
• Stay updated on advancements in computational chemistry and cheminformatics.
• Prepare technical reports, present findings, and contribute to publications and patents.

Skills

Molecular modeling

Python scripting

C++ scripting

Remote collaboration

Education

PhD in Computational Chemistry

Tools

Gaussian

AMBER

LAMMPS

Schrödinger suite

Job description

About the Role

Our client, a globally recognized leader in materials science and chemical research, is actively seeking a Senior Computational Chemist to join their innovative and entirely remote research and development team. This pivotal role is dedicated to leveraging advanced computational methods to design, analyze, and optimize chemical structures and processes. You will work on challenging projects, contributing to the development of novel materials and chemical solutions. Our organization is committed to a remote-first culture, providing a highly collaborative and flexible work environment where talented scientists can thrive globally. This is an exceptional opportunity to apply your computational expertise to impactful scientific endeavors, connected to our research operations near Upington, Northern Cape, ZA .

Key Responsibilities

• Develop and apply computational chemistry techniques, including molecular modeling, quantum mechanics (QM), and molecular dynamics (MD) simulations.
• Design and predict properties of novel molecules and materials using computational tools.
• Collaborate with experimental chemists and material scientists to guide synthesis and characterization efforts.
• Analyze large datasets from simulations and experiments to extract meaningful insights and identify structure-property relationships.
• Develop and implement robust computational workflows and pipelines for automated analysis.
• Contribute to the development of new computational methodologies and software tools.
• Stay abreast of the latest advancements in computational chemistry, cheminformatics, and related fields.
• Prepare technical reports, present findings, and contribute to publications and patents.

Requirements

• Ph.D. in Computational Chemistry, Physical Chemistry, Chemical Engineering, or a related field.
• Minimum of 5 years of post-doctoral or industry experience in computational chemistry, with a strong focus on molecular modeling and simulation.
• Proficiency in computational chemistry software packages (e.g., Gaussian, AMBER, LAMMPS, Schrödinger suite).
• Strong understanding of quantum mechanics, statistical mechanics, and physical organic chemistry principles.
• Experience with programming languages such as Python or C++ for scripting and workflow automation.
• Excellent analytical and problem-solving skills.
• Ability to work independently and effectively manage projects in a remote team setting.
• Strong communication and collaboration skills.

Benefits

• Our client offers a highly competitive salary, a comprehensive benefits package including health and wellness programs, retirement savings plans, and generous paid time off.
• Our fully remote structure ensures maximum flexibility and work-life balance. You will have access to cutting-edge computational resources, opportunities for professional development, and the chance to be part of a leading scientific team making significant contributions to materials and chemical innovation. We are committed to fostering a supportive and dynamic remote work environment where your expertise is highly valued and your career can flourish.