Director, Computational Chemistry Methods at R&D Partners , NY

Job Description

Your main responsibilities as a
Director, Computational Chemistry Methods
:

Define and execute a comprehensive computational chemistry strategy that leverages both physics-based and AI-driven approaches to accelerate drug discovery.

Collaborate with cross-functional teams including CADD scientists, medicinal chemists, biologists, and ML researchers.

Design and execute state-of-the-art molecular dynamics simulations, enhanced sampling techniques, quantum chemistry calculations, and free energy calculations to improve ligand binding predictions and optimize molecular properties such as ADMET.

Develop novel computational methodologies integrating physics and AI/ML to address complex challenges in drug discovery.

What we are looking for in an Aseptic Manufacturing Supervisor :

Ph.D. in Computational or Theoretical Chemistry, Physics, or Biophysics, or a related field with a robust emphasis on computational method development.

8+ years of experience in computational chemistry within biotech, pharma, or related industries.

Proven track record in leadership, with the ability to mentor scientists and drive cross-functional collaboration.

Deep expertise in molecular dynamics simulations, enhanced sampling techniques, free energy calculations, and quantum chemistry methods.

Strong background in method development, including algorithm design and implementation tailored for drug discovery.

Proficiency with computational chemistry software (e.g., AMBER, GROMACS, OpenMM, Schr dinger, etc.).

Strong programming skills in Python.