Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Machine Learning in Materials Science, Advanced Chemical Physics Studies, Quantum, superfluid, helium dynamics, and Quantum and electron transport phenomena.
Decoupling many-body interactions in the CeO<sub>2</sub>(111) oxygen vacancy structure with statistical learning and cluster expansion
CELL: a Python package for cluster expansion with a focus on complex alloys
Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates
Roadmap on Machine learning in electronic structure
Density-of-states similarity descriptor for unsupervised learning from materials data
First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures
Thermally enhanced Fröhlich coupling in SnSe
Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba<sub>8</sub>Al<sub><i>x</i></sub>Si<sub>46–<i>x</i></sub>and Sr<sub>8</sub>Al<sub><i>x</i></sub>Si<sub>46–<i>x</i></sub>
Unphysical and physical solutions in many-body theories: from weak to strong correlation
Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme
Spin-dependent optimized effective potential formalism for open and closed systems
exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory