Computational Theoretical Chemist II

We are seeking a Computational Theoretical Chemist II to join our interdisciplinary team. The role will involve owning computational chemistry programs, collaborating with cross-functional teams, and advancing drug discovery operations. The ideal candidate will have a Ph.D. in computational chemistry or a related discipline, 2 years of industry experience, and expertise in quantum chemical methods, molecular dynamics simulations, and machine learning techniques.

Requirements

• Ph.D. in computational chemistry or related discipline
• 2 years of relevant industry experience within drug discovery or biotechnology
• In-depth knowledge and hands-on experience with quantum chemical (QC) methods, molecular dynamics (MD) simulations, and machine learning techniques
• Strong understanding of key concepts, including potential energy surfaces, intermolecular and intramolecular forces, and force fields
• Proficiency in analyzing molecular properties such as solvation free energy, dipole moments, and vibrational frequencies
• Extensive experience in using and troubleshooting software tools for QC calculations, MD simulations, and Drug Design Development Packages
• Experience working with HPC Clusters and cloud-based services
• Ability to optimize computational simulation protocols for efficient resource usage
• Proven experience working with small organic molecules and large biomolecular systems
• Hands-on experience with Python and Bash scripting for automating workflows and data analysis
• Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data management

Benefits

• Competitive compensation package
• Above market benefits
• Generous vacation and parental leave
• Super cool team building activities
• Great colleagues