Daniel Barragan-Yani

collaborators

2 papers

cond-mat.mtrl-sci2025

Electronic and optical properties of native point defects in CuInS $_{2}$ and CuGaS $_{2}$

Henry Phillip Fried, Daniel Barragan-Yani, Ludger Wirtz

We present a detailed study of common intrinsic defects in CuInS $_{2}$ and CuGaS $_{2}$ using the Heyd, Scuseria and Ernzerhof (HSE) hybrid functional scheme. The impact of the two HSE…

quant-ph2025

A Joint Quantum Computing, Neural Network and Embedding Theory Approach for the Derivation of the Universal Functional

Martin J. Uttendorfer, Daniel Barragan-Yani, Matthias Sperl +1

We introduce a novel approach that exploits the intersection of quantum computing, machine learning and reduced density matrix functional theory to leverage the potential of quantu…

Electronic and optical properties of native point defects in CuInS2​ and CuGaS2​

A Joint Quantum Computing, Neural Network and Embedding Theory Approach for the Derivation of the Universal Functional

Electronic and optical properties of native point defects in CuInS $_{2}$ and CuGaS $_{2}$