SLAC National Accelerator Laboratory · 10 hours ago
Research Associate - Computational Crystallography
SLAC National Accelerator Laboratory is a U.S. Department of Energy laboratory operated by Stanford University. They are seeking a Postdoctoral Research Associate to join a project focused on protein ensemble compound screening for biothreat response and drug discovery, involving the development of automated workflows and advanced algorithms for time-resolved compound screening.
Advanced MaterialsBiotechnologyGovernmentLife Science
Responsibilities
Modeling: Use forward diffraction simulations and molecular dynamics / molecular docking applications to (a) compile training datasets for novel ML tools, (b) plan for experiments, and (c) interpret experimental data
Algorithmic Steering: Develop and benchmark advanced algorithms for automatic experiment steering, using real-time feedback from supervised ML models to optimize beamtime and maximize the targeted detection of structural intermediates
HPC Implementation: Benchmark and port applications to supercomputers when necessary to leverage multi-node, multi-GPU acceleration
Scientific Validation & Collaboration: Collect, analyze, and publish time-resolved compound screening data in collaboration with beamline staff and key beamline users
Dissemination: Write a high-impact paper promoting the new PECS tools and SSRL capabilities resulting from this project, and present research results at a scientific conference
Qualification
Required
Ph.D. in a relevant computational or experimental field (e.g., Physics, Computational Chemistry, Computer Science, Bioinformatics, Structural Biology, or a related discipline) completed within the last three years, or confirmation of Ph.D. requirements completion prior to the start date
Strong foundation in structural biology, macromolecular crystallography, or a related discipline, as demonstrated through publication history
Extensive experience with Python and professional software development practices (including test-driven code development and version control)
Familiarity with computational methods and concepts in optimization and machine learning
Excellent data and code organizational skills
Proficiency working in a Unix shell environment
Experience with molecular dynamics simulations and/or molecular docking applications
Preferred
Familiarity with AI/ML frameworks such as PyTorch, TensorFlow, or JAX
Familiarity with AI architectures common in structural biology, e.g. molecular graphs
Demonstrated experience/interest with GPU programming (e.g., CUDA, OpenCL)
Prior experience with diffraction data analysis software (e.g., DIALS, XDS, Phenix)
Knowledge of SLURM or similar for job management in a compute cluster environment
Experience or strong interest in beamline operations or scientific user facilities
Company
SLAC National Accelerator Laboratory
SLAC National Accelerator Laboratory is the U.S. Department of Energy's national lab at Stanford University. It is a sub-organization of Stanford University.
H1B Sponsorship
SLAC National Accelerator Laboratory has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2024 (3)
2023 (59)
2022 (69)
2021 (68)
2020 (41)
Funding
Current Stage
Late StageTotal Funding
unknownKey Investors
US Department of EnergyU.S. Department of Homeland Security
2023-09-27Grant
2023-08-16Grant
2023-01-20Grant
Leadership Team
Recent News
2026-01-25
2025-12-27
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