About us

Welcome to the website of the Computational Materials Physics Group of Shuxia Tao. We are a part of the Center for Computational Energy Research (CCER), a joint initiative between the Department of the Applied Physics of the Eindhoven University of Technology (TU/e) and Dutch Institute for Fundamental Energy Research (DIFFER). We combine electronic-structure calculations with multi-scale methods to study materials in the solid state for energy applications. The material properties we are interested in include optoelectronic properties, thermodynamics, and chemical kinetics. The ultimate goal of our research is to understand and guide experimental research to accelerate the development of low-cost and sustainable materials for energy applications.

Highlights

The absolute energy levels

The absolute energy levels

The absolute energy levels of 18 metal halide perovskites manuscript is accepted by Nature Communications.

Tin, the enabler

Tin, the enabler

Congratulations to Chidozie Onwudinanti for his first-author paper on Nanomaterials.

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