AI Engineer for Energy Materials & Battery R&D

CATL; Hong Kong; On-site; HKD 900,000 - 1,500,000; Full time

Job summary

CATL is seeking a high-level AI scientist to advance AI-powered materials research and battery R&D in Hong Kong. You will design AI-driven computations, enable AI-based R&D, and integrate AI with science workflows across simulations and experiments.

The role requires deep expertise in computational physics, ML architectures, and cross-disciplinary collaboration to push energy storage innovations forward.

Qualifications

• Master’s degree or above in AI, CS, math, physics or related fields; experience in AI for science preferred.
• Solid command of DFT/MD, at least one mainstream DFT/MD tool, and ML in scientific computations.
• Proficient in Python and major DL frameworks; experience with advanced architectures and physical constraints.
• Ability to independently model, train, tune and iterate AI models for energy materials.
• Strong data analysis for simulation and time-series data; cross-team collaboration skills.
• Relevant battery R&D, energy storage or materials design experience preferred.

Responsibilities

• AI-driven computations: multiscale material simulations and AI-accelerated analysis.
• AI-enabled R&D: develop AI solutions for material discovery and process optimization.
• Integration with AI for Science: connect simulations with experiments and data.
• Data mining & modeling: build predictive and optimization models from diverse data.
• Cutting-edge technology exploration: track and verify new AI tech in energy.
• Cross-team adaptation: collaborate with simulation, experiment and engineering teams.

Skills

Computational Physics

AI Algorithm Proficiency

Python & PyTorch

ML for Science

Data Analysis

Cross-team Collaboration

Battery R&D Experience

Education

Master’s degree or above in AI, CS, math, physics or related fields

Tools

VASP

Quantum ESPRESSO

CP2K

LAMMPS

OPENMM

GPUMD

Job description

CATL is seeking a high-level AI scientist to advance AI-powered materials research and battery R&D in Hong Kong. You will design AI-driven computations, enable AI-based R&D, and integrate AI with science workflows across simulations and experiments.

The role requires deep expertise in computational physics, ML architectures, and cross-disciplinary collaboration to push energy storage innovations forward.