Two new papers about GW and BSE@GW method development published in JCTC

We just published a paper about “Benchmark of GW Methods for Core-Level Binding Energies” and another one about “Combining Renormalized Singles GW Methods with the Bethe–Salpeter Equation for Accurate Neutral Excitation Energies” with our collaborators from Duke University (USA).

Our XPS prediction model combining DFT+GW+ML is now out in Chemistry of Materials

Check out our paper at For the brave, try our XPS prediction server at to obtain a prediction of carbon-based materials within seconds. A short story is also available here:

ML predictions of core-level binding energies of carbon-based materials

Check out our latest work on machine learning models for computational predictions of core-electron binding energies of carbon-based materials: Accurate computational prediction of core-electron binding energies in carbon-based materials: A machine-learning model combining DFT and GW (arXiv:2112.06551)