Quantum Life Sciences Chemist

Summary

Join PsiQuantum's Quantum Solutions team as a Quantum Life Sciences Chemist to revolutionize life sciences using quantum computing. Lead efforts bridging fault-tolerant quantum computing (FTQC) and established computational chemistry and life sciences tools. Integrate these approaches with machine learning to explore novel workflows for quantum-informed drug discovery and biomolecular modeling. This role requires a PhD in a related field and expert-level Python coding skills. The ideal candidate will possess strong foundational knowledge of quantum chemistry and molecular simulation techniques. Contribute to scientific software or modeling workflows and help shape external-facing materials championing FTQC applications in life sciences. This position offers a competitive salary and benefits package.

Requirements

• Ph.D. in computational chemistry, biophysics, bioinformatics, or a closely related field, with a strong focus on computational methodology development, and 0 to 6 years of post-PhD (postdoctoral or industrial) experience
• Hands-on experience with modeling and simulation of biological systems, such as protein-ligand interactions, enzymatic reactions, or biomolecular dynamics
• Enthusiasm for working in a collaborative, interdisciplinary, and dynamic team environment
• Expert-level Python coding skills with experience in scientific libraries relevant to life sciences
• Proven ability to stay updated on recent academic literature and trends in computational chemistry and biomolecular modeling

Responsibilities

• Conduct innovative research, literature analysis, problem solving, and quantum workflow design in the areas of quantum-informed biomolecular modeling, drug discovery, and computational chemistry
• Collaborate with quantum algorithm experts to identify areas where quantum computing can have the greatest impact in computational chemistry, biology, and life sciences
• Contribute expertise in conventional (non-quantum-computing) algorithms to the development of in-house quantum algorithms
• Serve as a technical lead in customer projects by collaborating with customers’ teams to integrate quantum computing-produced computational outputs into conventional life sciences workflows
• Serve as a liaison between partner teams and PsiQuantum’s quantum information experts for innovative algorithm selection, development, and prioritization relevant to life sciences
• Develop computational workflows that combine best-in-class conventional approaches (e.g., through high-performance computing (HPC)) with the breakthrough computational abilities of FTQC to reshape how quantum workflows are designed for life sciences applications
• Serve as a subject matter expert in computational quantum chemistry and biomolecular modeling for PsiQuantum’s Quantum Solutions team, staying updated on recent academic literature, trends, and tools in life sciences
• Foster collaboration across teams to maximize the impact of quantum algorithms and quantum computing-generated data in life sciences applications
• Help shape external-facing materials that champion the applications of FTQC in the pharmaceutical, biotechnology, and life sciences industries (for key opinion leaders, media, and partners)
• Build and maintain external partnerships and collaborations on the topic, which can include meetings, group problem-solving sessions, or drafting research proposals, among others
• Create organized internal reports and thoroughly document progress on assigned tasks

Preferred Qualifications

• Strong foundational knowledge of quantum chemistry methods (e.g., DFT, coupled cluster theory, or wavefunction-based approaches) and molecular simulation techniques as applied to biomolecular systems
• Experience with free energy perturbation (FEP), molecular docking, or similar computational techniques for drug discovery
• Experience with machine learning (ML) techniques in computational drug discovery, biomolecular modeling, or structural biology
• Experience with coding GPU-accelerated molecular simulations
• Familiarity with hybrid quantum-classical methodologies, such as QM/MM, applied to biomolecular systems
• Knowledge of quantum embedding theories (e.g., DMET, embedded correlated wavefunctions) and their application to large, complex biomolecular systems
• Hands-on experience with quantum computing or quantum algorithms, especially as applied to biological or chemical systems
• General understanding of light-matter interactions or electronic excitations relevant to biological or chemical systems, such as energy transfer or photochemical processes
• Familiarity with advanced quantum mechanical methods (e.g., CASCI, CASSCF) and their relevance to modeling enzymatic reactions or metal-containing biomolecules
• Demonstrated scientific communication skills through peer-reviewed publications, conference presentations, or collaboration with industry partners
• Expert-level C++ or Fortran coding skills

Benefits

• Equity
• Benefits