Computational Chemist

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.