CTI Test

We harness the many computational approaches to explore new materials and describe their electronic structure, as well as their vibrational, magnetic and optical properties.

Systems, methods and applications

General text on our common goals and computational tools.

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Thermoelectric materials

The wealth of transition metal chalcogenide clusters

Materials for optoelectronics

Halide perovskites and others

Frustrated magnetism

Oxides, intermetallics and more

Recent projects

IA PeroCUBE (2020)

High-Performance Large Area Organic Perovskite devices for lighting, energy and Pervasive Communications

MoreLess (2018)

Cellules solaires perovskite plus stables et à teneur réduite en plomb

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