Computational Chemist

This company are dedicated to pioneering the discovery of new chemicals and materials that drive sustainable practices across various sectors, especially where the need for change is most urgent. Their mission is to harness cutting-edge computational chemistry and material science to develop innovative solutions that contribute to a more sustainable future.

They are seeking a highly skilled and motivated Computational Chemist with a strong background in material science to join their dynamic team. The ideal candidate will play a critical role in their research and development efforts, focusing on the computational modeling, simulation, and analysis of novel materials and chemical compounds. Your work will directly contribute to the discovery and optimization of materials with applications in energy, environment, and industrial processes.

Responsibilities:

• Conduct computational research to design and optimize new materials and chemicals for sustainability-focused applications.
• Utilize advanced computational chemistry methods, such as quantum mechanics (QM), molecular dynamics (MD), and density functional theory (DFT), to model and predict the properties and behaviour of materials.
• Collaborate with experimental chemists and material scientists to validate computational predictions and refine models.
• Analyse and interpret simulation data to provide insights into material properties, stability, reactivity, and performance.
• Develop and implement computational workflows and protocols to streamline the discovery and evaluation of new materials.
• Stay abreast of the latest developments in computational chemistry and material science, incorporating new methodologies and tools as appropriate.
• Prepare technical reports, scientific publications, and presentations to communicate findings to internal and external stakeholders.
• Participate in cross-functional teams to align computational efforts with broader research and development goals.

Background:

• Ph.D. in Computational Chemistry, Material Science, Chemical Engineering, or a related field.
• Proven experience in computational modeling and simulation of materials, with a strong track record of research and publications.
• Experience in developing or applying machine learning techniques to computational chemistry and material science problems.
• Proven ability to create materials datasets using off-the-shelf DFT software.
• Proficiency in using computational chemistry software and tools (e.g., Gaussian, VASP, LAMMPS, GROMACS).
• Strong understanding of quantum mechanics, molecular dynamics, and density functional theory.
• Experience with high-performance computing (HPC) environments and parallel computing techniques.
• Excellent problem-solving skills and the ability to work independently as well as part of a team.
• Strong communication skills, both written and verbal, with the ability to present complex technical information to a diverse audience.
• Passion for sustainability and a commitment to driving positive change through scientific innovation.

If you are a passionate and experienced Bioinformatics Software Engineer with a focus on infectious diseases, I encourage you to apply.

Following your application Filipa Englefield, a specialist Biotech will discuss the opportunity with you in detail. She will be more than happy to answer any questions relating to the industry and the potential for your career growth. The conversation can also progress further to discussing other opportunities, which are also available right now or will be imminently becoming available. This position has been highly popular, and it is likely that it will close prematurely. We recommend applying as soon as possible to avoid disappointment.

Please click ‘apply’ or contact Filipa Englefield for any further information.

Filipa Englefield

Recruitment Consultant - EMEA

Email: fenglefield (@) barringtonjames.com