CMDD @ KAIST

Research subgroups

Connected research teams.

Materials questions guide the choice of calculations, data and experiments.

01

All-solid-state batteries

Solid electrolytes, active cathode materials and composite cathodes.

Synthesize oxide, sulfide and halide electrolytes using mechanochemical and solid-state methods. Test cathodes in pressure cells, screen candidates with DFT and machine learning, and study reaction mechanisms and electrode–electrolyte interfaces.

Solid-state batteries
02

Lithium DRX cathodes

Lithium-excess disordered-rocksalt cathodes and electrodes.

Study how thermal history and synthesis pathways control phase formation and local order. Connect structural analysis and DFT with ion and electron transport, separating particle-size and electrode-contact effects.

DRX cathodes
03

Oxygen redox cathodes

High-capacity lithium, sodium and potassium cathodes.

Connect solid-state synthesis, in situ synchrotron measurements, XANES and DEMS with DFT to understand oxygen redox and stabilize oxidized oxygen.

Cathode materials
04

Self-driving experimental lab

Robotics, automated measurements and model-guided experiments.

Connect ALBATROSS electrolyte formulation and cell testing with reproducible experimental records and model-guided selection. Study electrode–electrolyte combinations and compare automated decisions with reference experiments.

Lab automation
05

Machine learning / AI

Materials datasets and predictive models.

Develop data-efficient interatomic potentials, synthesis models and battery diagnostics. Test transfer to unseen compositions, processing conditions and cells, and compare predictions at matched data and computation budgets.

Machine learning
06

Simulation

Atomic-scale and electrochemical models for batteries and catalysts.

Use DFT, molecular dynamics, Monte Carlo simulation and electrochemical modelling. Test computational predictions in collaboration with experimental teams.

Atomistic modeling

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