Associate Scientist, Post Doctoral Fellow- Computational Reaction Modeling - Machine Learning

Role Summary

Associate Scientist, Post Doctoral Fellow - Computational Reaction Modeling - Machine Learning

Responsibilities

• Conduct research focused on the benchmarking and fine-tuning of machine learning-based interatomic potentials, both independently and in collaboration with an interdisciplinary team of molecular modelers and experimental scientists across Discovery Chemistry and Process Chemistry
• Couple molecular modeling and cheminformatics tools to develop novel workflows for reaction modeling at a scale relevant for drug discovery and process development
• Independently plan, execute and clearly communicate key aspects of a research program
• Attend and participate in meetings across departments, presenting project progress to various teams
• Author scientific publications and present at conferences

Qualifications

• Ph.D. completed within 6 months of hire in Computational Chemistry / Machine Learning / Chemical Engineering, or a closely related field
• Strong academic background in machine learning, computer science, cheminformatics, physical chemistry, organic chemistry, or applied mathematics
• Demonstrated experience applying machine learning to chemical problems
• Strong programming skills with Python, including PyTorch and TensorFlow
• Experience with classical organic reaction modeling including, but not limited to, quantum chemical calculations and conformational searches
• Experience with developing machine learning-based atomistic potentials
• Ability to independently drive and deliver results, while balancing multiple priorities simultaneously
• Proven ability to communicate technical findings clearly in writing and presentations to a cross-functional audience including synthetic chemists, data scientists, and IT teams

Skills

• Analytical Chemistry
• Benchmarking Studies
• Cell Culture Techniques
• Chemical Biology
• Chemical Engineering
• Chemical Technology
• Computational Biology
• Computer Science
• Data Analysis
• Informatics
• Mathematical Biology
• Molecular Biology
• Molecular Modeling
• Organic Chemistry
• Process Chemistry
• Programming Languages
• Scientific Research
• Scientific Writing
• Statistical Analysis

Education

• Ph.D. completed within 6 months of hire in Computational Chemistry / Machine Learning / Chemical Engineering, or a closely related field