Research Scientist (Computational Chemistry)

SLB; Cambridge; On-site; GBP 55,000 - 85,000; Full time

Benefits offered by this job

Private healthcare

Dental care

Pension plan

Life insurance

Mental health support

Job summary

SLB Cambridge Research is seeking a postdoctoral researcher in computational chemistry to develop molecular modeling and simulation approaches for energy, materials, and sustainability applications. The role focuses on accelerating chemical and materials discovery and translating molecular insights into practical engineering solutions.

Applications may include carbon capture, membranes, catalysts, electrochemistry, and oilfield chemistry.

Qualifications

• PhD in computational chemistry or related physical sciences.
• Strong programming and data analysis skills.
• Experience with HPC and reproducible computational workflows.
• Expertise in molecular mechanics, MD, force fields, and DFT (DFT).
• Experience with ML potentials or surrogate modeling.
• Knowledge of carbon capture, porous materials, membranes, electrochemistry or oilfield chemistry.
• Publication record in peer-reviewed journals.
• Familiarity with cheminformatics.

Responsibilities

• Develop molecular modeling workflows for interactions, reactivity, adsorption, solvation, interfacial chemistry.
• Perform screening, property prediction, and formulation design for chemical systems.
• Translate simulation results into guidance for experimental scientists and engineers.
• Collaborate with multidisciplinary teams to connect molecular insight with technology development.
• Contribute to patents, publications, reports, and scientific discussions.

Skills

Programming

Data analysis

Molecular modeling

High-performance computing

Machine learning potentials

DFT knowledge

Cheminformatics

Communication

Education

PhD in computational chemistry or related physical sciences

Tools

COSMO-RS

Gaussian/ORCA-like DFT

GROMACS

LAMMPS

Job description

Research Scientist (Computational Chemistry)

About Us

We are a global technology company, driving energy innovation for a balanced planet.

At SLB we create amazing technology that unlocks access to energy for the benefit of all. As innovators, that has been our mission for 100 years. We are facing the world’s greatest balancing act: how to simultaneously reduce emissions and meet the world’s growing energy demands.

We’re working on that answer. Every day, a step closer.

Our collective future depends on decarbonizing the fossil fuel industry, while innovating a new energy landscape. It’s what drives us. Ensuring progress for people and the planet, on the journey to net zero and beyond. For a balanced planet.

You can find out more about us on https://www.slb.com/who-we-are.

Location

Cambridge, England

SLB Cambridge Research (SCR) is part of SLB’s global network of research and engineering centers. SCR is a dynamic, multidisciplinary environment with state-of-the-art research and computing facilities. We work on applied research projects in the physical sciences to meet the current and future challenges of the industry.

SLB Cambridge Research is a distinctive marquee-like structure dominating the High Cross site on the western outskirts of Cambridge, England. This spectacular building was completed in 1985 and the smaller second phase was opened in 1992. It has recently been classified as a Grade II listed building. Altogether, there are more than 930 m2 of laboratory space and offices for more than 100 scientists, technicians, and domain experts.

Job Summary

We are seeking a postdoctoral researcher in computational chemistry to develop molecular modeling and simulation approaches for energy, materials, and sustainability applications. The role will focus on accelerating chemical and materials discovery and translating molecular-level insight into practical engineering solutions.

Application areas may include carbon capture with solvents and sorbents, membranes, catalysts, electrochemistry, and oilfield chemistry.

Key Responsibilities

• Develop molecular modeling workflows to study molecular interactions, reactivity, adsorption, solvation, and interfacial chemistry.
• Perform screening, property prediction, and formulation design for chemical and materials systems.
• Translate simulation results into actionable guidance for experimental scientists and engineers.
• Work with multidisciplinary teams to connect molecular-scale insight with applied technology development.
• Contribute to patents, publications, reports, and scientific discussions.

What the Postdoctoral Researcher Will Gain

• Experience applying computational chemistry to real-world energy and sustainability challenges.
• Exposure to discovery, modeling, validation, and engineering translation.
• Collaboration with experts across chemistry, materials science, chemical engineering, data science, and energy technologies.
• Opportunities to engage with university and industry partners.
• A stronger research portfolio and professional network for careers in industry, academia, or applied research.
• Doctor of Philosophy (PhD) in computational chemistry, physical chemistry, chemical engineering, materials science, physics, or a related physical science.
• Expertise in molecular mechanics, molecular dynamics, force fields, and density functional theory (DFT).
• Experience with conductor-like screening model methods, including conductor-like screening model for real solvents (COSMO-RS), and quantitative structure-activity relationship models.
• Strong programming and data analysis skills.
• Ability to develop models, make assumptions explicit, and communicate results clearly.
• Publication record in reputable peer-reviewed journals.
• Familiarity with cheminformatics.
• Experience with machine‑learned potentials, DFT-informed machine learning, or surrogate modeling.
• Knowledge of carbon capture, porous materials, membranes, electrochemistry, or oilfield chemical systems.
• Experience with high‑performance computing and reproducible computational workflows.

What We Can Offer You

Competitive base salary, private healthcare for employee and family, subsidized dental care, Health & Wellbeing programs such as the Employee Mental health support, health & wellness coaching, part employer and employee funded pension contribution, Income protection scheme, life insurance.

Other benefits are also available through the SLB flexible benefits program.

SLB is an equal employment opportunity employer. Qualified applicants are considered without regard to race, color, religion, sex, sexual orientation, gender identity, national origin, age, disability, or other characteristics protected by law.

The recruiting process and the position can be adapted to fit most disabilities, please do not hesitate to mention this when applying.