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We are a group of creative computational physicists investigating intriguing quantum phenomena in materials and molecules.

First Principles
We utilize parameter-free first principles calculations, rooted in quantum mechanics, to investigate the electronic structure and properties of materials and molecules.
New Methods and Algorithms
We innovate and implement new algorithms and methods to enhance computational efficiency, accuracy, and scalability for solving large-scale electronic structure problems on high performance computing machines.
Quantitative Predictions
Our methods aim to quantitatively predict and engineer the electronic and optical properties of quantum materials, using only the atom positions and crystal structure as input for our calculations.
Experimental Collaborations
We work closely with experimental colleagues to validate theoretical predictions and provide theoretical insights into new observations.
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