Director of Computational Chemistry & Molecular Design

Hyper Recruitment Solutions; Cambridge; Hybrid; GBP 90,000 - 150,000; Full time

Job summary

Hyper Recruitment Solutions Ltd in Cambridge is seeking a Director - Computational Chemist to lead strategic computational efforts in drug discovery for neurological disorders and oncology. You will shape the development of advanced simulation platforms and guide cross-functional teams.

The role requires a PhD in computational chemistry, strong experience with FEP/TI in drug discovery, and proven scientific leadership with Python scripting to build scalable workflows.

Qualifications

• PhD in Computational Chemistry or a related field.
• Proven experience in developing/applying modern simulation methods (e.g., FEP/TI) in a drug discovery context.
• Strong Python programming skills and ability to build scalable workflows.
• Evidence of scientific leadership and strategic influence.

Responsibilities

• Oversee development and application of internal simulation platform, focusing on free energy and related molecular simulations.
• Develop and apply advanced molecular simulation and free energy methods to guide compound design.
• Collaborate closely with medicinal chemistry and structural biology teams to integrate computational approaches.
• Validate novel methods against high-quality experimental datasets.

Skills

Python

Scientific leadership

Drug discovery

Education

PhD in Computational Chemistry

Job description

Hyper Recruitment Solutions Ltd in Cambridge is seeking a Director - Computational Chemist to lead strategic computational efforts in drug discovery for neurological disorders and oncology. You will shape the development of advanced simulation platforms and guide cross-functional teams.

The role requires a PhD in computational chemistry, strong experience with FEP/TI in drug discovery, and proven scientific leadership with Python scripting to build scalable workflows.