Our client, a renowned leader in chemical research and development, is seeking an exceptional Lead Computational Chemist for their fully remote research division. This role is essential for driving innovation in molecular design and discovery through advanced computational methods. You will lead a team of computational chemists and collaborate closely with experimental chemists and biologists to design novel molecules with desired properties for pharmaceutical and materials science applications. Responsibilities include developing and applying state-of-the-art computational chemistry techniques such as molecular modeling, quantum mechanics calculations, cheminformatics, and machine learning for drug design, catalyst discovery, and materials development. The ideal candidate will have a deep expertise in theoretical chemistry, extensive experience with computational chemistry software packages (e.g., Gaussian, Schrodinger Suite, Amber), and strong programming skills (Python, scripting languages). Proven experience in leading research projects, mentoring junior scientists, and a strong publication record in peer-reviewed journals are required. A PhD in Computational Chemistry, Physical Chemistry, or a closely related field, with significant post-doctoral or industry experience, is mandatory. Experience with cheminformatics databases, QSAR modeling, and data visualization tools is highly desirable. This is a prime opportunity to contribute to groundbreaking scientific advancements and shape the future of molecular discovery in a flexible, remote work environment.