Computational Chemist

FPSG; Oxford; On-site; GBP 35,000 - 55,000; Full time

Job summary

A leading research institution is looking for a motivated Computational Chemist in Oxford. The role involves developing computational methods to study chemical systems and collaborating with teams on drug discovery projects. The ideal candidate will hold a Ph.D. in a relevant field and have experience in computational chemistry and programming. This position offers an opportunity to contribute to innovative projects at the intersection of science and technology.

Qualifications

• Ph.D. in Chemistry, Computational Chemistry or related field required.
• Strong background in quantum mechanics and molecular modeling is essential.
• Proficient in programming languages such as Python, C/C++, or Fortran.

Responsibilities

• Develop computational models to study molecular structures and properties.
• Collaborate with teams to design compounds for drug discovery.
• Utilize simulations and machine learning in research projects.

Skills

Computational Chemistry

Data Analysis

Programming (Python, C/C++, Fortran)

Molecular Dynamics Simulations

Machine Learning Techniques

Education

Ph.D. in Chemistry or related field

Tools

Gaussian

CHARMM

GROMACS

NWChem

ORCA

Job description

Computational Chemist - Oxford

FPSG are working with a leading research institution dedicated to advancing the field of computational chemistry. Our multidisciplinary team of scientists, engineers, and researchers collaborates on cutting‑edge projects to address complex challenges in drug discovery, materials science, and molecular modeling.

Position Overview

We are seeking a talented and motivated Computational Chemist to join our team in Oxford. The successful candidate will play a key role in developing and applying computational methods to study chemical systems, analyze data, and drive scientific discoveries. This position offers a unique opportunity to work on diverse projects at the intersection of chemistry, physics, and computer science.

Key Responsibilities

• Develop and implement computational models and algorithms for studying molecular structures, interactions, and properties.
• Collaborate with experimental chemists and interdisciplinary teams to design and optimize novel compounds for drug discovery and materials development.
• Utilize molecular dynamics simulations, quantum chemistry methods, and machine learning techniques to predict and interpret chemical phenomena.
• Perform data analysis, visualization, and interpretation to extract meaningful insights from computational results.
• Contribute to the development of software tools and databases for storing and analyzing chemical data.
• Stay abreast of the latest advancements in computational chemistry and apply new methodologies to enhance research projects.

Qualifications

• Ph.D. in Chemistry, Computational Chemistry, Chemical Engineering, Physics, or related field.
• Strong background in computational chemistry, quantum mechanics, molecular modeling, or a related discipline.
• Proficiency in programming languages such as Python, C / C++, or Fortran, with experience in scientific computing.
• Hands‑on experience with molecular simulation software (e.g., Gaussian, CHARMM, GROMACS, VMD) and quantum chemistry packages (e.g., Gaussian, NWChem, ORCA).
• Familiarity with machine learning techniques applied to chemistry (e.g., deep learning, molecular descriptors) is a plus.
• Excellent problem‑solving skills, attention to detail, and ability to work independently and collaboratively in a team environment.
• Effective communication skills with the ability to present complex technical concepts to diverse audiences.

We are Disability Confident and neurodiverse aware. If you have a disability, please tell us if there are any reasonable adjustments we can make to assist you in your application or with your recruitment process.

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