Postdoctoral Fellow in Atomistic Simulations and AI Materials Design
Listed on 2026-11-01
-
Research/Development
Postdoctoral Research Fellow, Research Scientist, Data Scientist, AI Business & Operations
Johns Hopkins University
Maryland
Not specified
About This OpportunityJohns Hopkins University is recruiting a Postdoctoral Fellow in atomistic simulations and AI for materials design. The role focuses on DFT, machine-learned force fields, graph neural networks and large language models for materials discovery.
The AtomGPTLab at Johns Hopkins University is recruiting a postdoctoral fellow in atomistic simulations, machine-learned force fields and artificial intelligence. The researcher will help build a computational platform that integrates first-principles methods, molecular simulations, graph neural networks and large language models to accelerate experimental design and discovery of functional materials. The role includes high-throughput DFT, model development, data integration, open-source contributions, mentoring and manuscript preparation.
AtomisticSimulation and AI for Materials Design Materials Science Level Postdoc Field Atomistic Simulation and AI for Materials Design Organization Type University Funding & Compensation Amount Paid Funding Type Salary Funding Status Paid Requirements Education
Applicants must hold a Ph.D. in Materials Science, Physics, Chemistry, Chemical Engineering, Computer Science or a related field.
ExperienceApplicants must demonstrate experience in at least one of density functional theory, machine-learned force fields, graph neural networks or large language models.
Technical Skills- Density functional theory
- Machine-learned force fields
- Graph neural networks
- Large language models
- VASP
- Quantum ESPRESSO
- GPAW
- ALIGNN-FF
- ALIGNN
- Hugging Face
- OpenAI
- AtomGPT
- JARVIS-Tools
- ASE
- High-performance computing
- Python
- Git
- Conda packaging
- Surrogate modeling
- Interdisciplinary collaboration
- Mentoring
- Manuscript writing
- Grant proposal contribution
- Scientific communication
(If this job is in fact in your jurisdiction, then you may be using a Proxy or VPN to access this site, and to progress further, you should change your connectivity to another mobile device or PC).