Job Description

Job Description

Join an excellent team of researchers dedicated to coming closer to the mission of St. Jude Children's Research Hospital, that no child will die at the dawn of life. The Quantum AI for Bio (QAI4Bio) Lab led by Dr. Christoph Gorgulla in the Center of Excellence for Data-Driven Discovery in the Structural Biology Department seeks a skilled and highly motivated machine learning expert. Our research group is focused on developing state-of-the-art computational methods for ligand/drug discovery, using machine learning, high-performance/cloud computing, and quantum chemistry and quantum computing. Our lab also includes a wet lab dedicated to experimentally verifying the computationally predicted results in real-world drug discovery projects.

We are seeking a highly motivated Postdoctoral Fellow or Computational Researcher/Scientist with deep expertise in machine learning (particularly deep learning ) and a strong background in either quantum chemistry or quantum computing , and/or molecular modeling . You will join an interdisciplinary team to push the boundaries of whats possible at the intersection of artificial intelligence and quantum/mechanistic science, building novel AI systems to advance discovery in chemistry, ligand discovery, and quantum technologies.

The successful candidate will have the opportunity to lead collaborative projects, mentor junior scientists and students, and contribute to high-impact publications. Collaboration is at the heart of our work. By working together in a collaborative and intellectually stimulating environment, you will have the opportunity to contribute to multiple ligand/drug discovery projects and make a lasting impact on the lives of children fighting cancer and other life-threatening diseases.

Key Responsibilities:

• Develop and optimize deep learning architectures for problems in quantum chemistry, quantum computing, and molecular modeling
• Collaborate closely with domain scientists to define impactful research directions and translate theory into practice
• Contribute to large-scale computational pipelines for tasks such as molecular property prediction, drug discovery, or quantum circuit design
• Publish high-quality research in top-tier journals and conferences
• Work with colleagues to deploy models into production research platforms or scientific software tools

Required Qualifications:

• PhD in Computer Science, Chemistry, Physics, Engineering, or a related discipline
• Strong foundation in modern deep learning (e.g., transformers, graph neural networks, or generative models)
• Experience in at least one of the following domains:
• Quantum chemistry: electronic structure, DFT, quantum dynamics, etc.
• Quantum computing: quantum algorithms, QML, variational methods, etc.
• Molecular modeling: force fields, docking, molecular simulations, etc.
• Proficiency in Python and deep learning libraries (e.g. PyTorch)
• Ability to work independently in a fast-paced, interdisciplinary environment

Preferred Qualifications:

• Record of publications in AI/ML and physical sciences journals or conferences
• Familiarity with quantum/chemistry software such as Qiskit, PennyLane, OpenFermion, RDKit, Psi4, CP2K,
• Experience with cloud or HPC environments and GPU-based training pipelines

About St. Jude

St. Jude Childrens Research Hospital is a world-class research institution dedicated to pediatric cancer and other catastrophic diseases of childhood. The first and only National Cancer Institute (NCI)-designated Comprehensive Cancer Center devoted solely to children. Our 300 faculty work across the spectrum of basic, translational, clinical, and population science in a highly collaborative multidisciplinary environment that includes a Nobel laureate and members of the National Academy of Science and the National Academy of Medicine. St. Jude is ranked on Fortune Magazines Best Workplaces in Health Care & Biopharma and Glassdoors Best Places to Work. St. Jude is one of the best-funded research institutes in the US with an annual budget of over $2 billion per year (

Working at St. Jude is a remarkable and special experience in many ways.

• Mission: At St. Jude, working is more than just a job it's a calling. Each member of St. Jude is united by a shared purpose: finding cures and saving children. In addition to the meaningful work you will undertake, we offer a range of perks to enhance your experience.
• Community and Belonging: St. Jude is like a warm family that welcomes you, to a large part because it is a Childrens hospital. It provides an exceptionally warm and friendly atmosphere. St. Jude also fosters a vibrant scientist and postdoc community that supports a well-balanced life. A dynamic environment promotes connections and camaraderie among researchers from all backgrounds
• The Best of Both Worlds - Industry and Academia: St. Jude provides academic freedom in research and industrial efficiency and resources. We have access to world-class shared resources/facilities led by expert scientists, coupled with state-of-the-art technology and funding, accelerating research productivity.
• Benefits: St. Jude offers a world-class benefits package ( Enjoy comprehensive healthcare, a competitive salary, tuition assistance for continued education, and exceptional work-life balance with ample paid time off.
• Additional Perks: St. Jude offers many special perks, such as an on-site gym, an employee pharmacy, and many others. To learn more about the unexpected perks of working at St. Jude, visit our website at
• Professional and Career Growth: Experience specifically designed programs to enhance professional growth and career readiness empowering postdocs for success beyond their training. This includes access to grant writing workshops, individual development plans, teaching and mentoring opportunities, non-research career advancement programs, professional development allowance, and so much more. More information can be found at
• Diversity: St. Jude is dedicated to fostering an inclusive and diverse scientific community, where everyones contributions are valued. St. Jude Childrens Research Hospital has a diverse, global patient population and workforce, built on the principles of diversity, equity, and inclusion. Our founder Danny Thomas envisioned a hospital that would treat children of the worldregardless of race, religion, or a familys ability to pay. Learn more about our history and commitment. Today, we continue the mission to advance cures and means of prevention for pediatric catastrophic diseases through research and treatment. As we accelerate this progress globally, we believe our legacy of diversity, equity, and inclusion is foundational to success. With the commitment of leaders at all levels of the organization, we strive to ensure the St. Jude culture, leadership approaches and talent processes are equitable and culturally responsive. More information is available here.
• Competitive Compensation: Embark on your journey with a competitive salary (depending on experience) comprehensive benefits and generous relocation assistance, reflecting our commitment to recognize and invest in talent. Furthermore, in Memphis/Tennessee, there is no income tax.

Top Employer: St. Jude was among the top 10 large employers in the US in 2024, ahead of Google, Microsoft and Apple:

Top Employer for Women: St. Jude is also among the top 10 employers for women in the US:

St. Jude Childrens Research Hospital is high school and college students top dream employer, according to the National Society of High School Scholars (NSHSS) 2018 Career Interest Survey.

About Memphis

St. Jude is located in the heart of Memphis, Tennessee, a vibrant and friendly city at the historic American crossroads of music, trade, food, and culture. Living in Memphis provides several unique advantages, including:

• Breathtaking Nature: Memphis provides unique nature and scenery, such as the Mississippi (the largest river in the US) or Shelby Farms Park, with which 4,500 acres is one of the largest urban parks in the country. See for more details.
• Its Culture: It is for instance the home of Elvis Presley. See for more details on the cultural aspects.
• Its Affordability: Memphis is one of the most affordable cities in the US, meaning the same income will bring you farther than in other places in the US (for more details, see

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