Computational Chemistry Research Scientist – Energy & Materials

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

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.