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 Betheā€“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)