Doctoral Researcher (PhD Candidate)

Data Driven Simulation and Analysis in Material Science

Organisation/Company Saarland University Department Data Driven Simulation and Analysis in Material Science Research Field Computer science Researcher Profile First Stage Researcher (R1) Positions PhD Positions Application Deadline 15 Aug 2026 - 23:59 (Europe/Berlin) Country Germany Type of Contract Temporary Job Status Full-time Hours Per Week 39,5 Offer Starting Date 1 Sep 2026 Is the job funded through the EU Research Framework Programme? Not funded by a EU programme Is the Job related to staff position within a Research Infrastructure? Yes

Offer Description

Our group develops LLMs and agentic AI systems for scientific discovery, engineering and physical systems. We investigate how AI can reason about scientific problems, interact with simulation software and support the design of complex physical systems. The group is jointly embedded at Saarland University and DFKI in Saarbrücken.

Current Research Directions include:

• AI for scientific computing – neural operators and learning-based surrogates for physical systems
• LLMs and scientific agents – large language models that autonomously reason, plan and execute scientific workflows
• AI for engineering design – LLM-driven agents for autonomous optimization and design of materials, structures and processes
• Multimodal scientific AI – integrating language, images, sensor data and simulations
• Alignment for scientific AI – scalable oversight, verification and control of LLM-based agents

AI for materials discovery – generative models, active learning and autonomous discovery of novel materials

We welcome applications from candidates whose interests align with one or more of these directions and who are excited about advancing the interface between AI and the natural sciences.

Where to apply

E-mail

Requirements

Research Field Computer science Education Level Master Degree or equivalent

Skills/Qualifications

• Strong foundations in Machine Learning and Deep Learning
• Experience with PyTorch, TensorFlow and/or JAX
• Interest in scientific computing and simulation
• Strong analytical abilities
• Excellent communication and teamwork skills
• Independent and structured working style

Specific Requirements

• Publications in relevant research areas
• Open-source software contributions
• Experience with:
  • Foundation Models
  • Large Language Models
  • LLM Fine-Tuning
  • Agentic AI Systems
  • Diffusion Models
  • Scientific Simulation Software
  • HPC Computing

Languages ENGLISH Level Excellent

Internal Application form(s) needed

• Fully funded doctoral position (TV-L E13)
• International research environment
• Joint affiliation with Saarland University and DFKI
• Access to state-of-the-art GPU and HPC infrastructure
• Collaboration opportunities with leading international partners
• Flexible working arrangements and teleworking options
• Family-friendly workplace
• Professional development and language courses
• Occupational health programmesUniversity sports facilities
• Public transportation subsidy (Job Ticket)