Electronic excitations: density-functional versus many-body Green’s-function approaches

• Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

  2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Correlation effects in two-dimensional M X 2 and M A 2 Z 4 ( M = Nb , Ta ; X = S , Se , Te ; A = Si , Ge ; Z = N , P ) cold metals: Implications for device applications

  2025 Physical Review Materials article Materials Science 2D Materials and Applications

  5

  citations
• Atomate2: modular workflows for materials science

  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  43

  citations
• A New Era of Quantum Materials Mastery and Quantum Simulators In and Out of Equilibrium

  2023 Lecture notes in physics book-chapter Physics and Astronomy Topological Materials and Phenomena Open access

  3

  citations
• Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells

  2021 Physical Chemistry Chemical Physics article Energy TiO2 Photocatalysis and Solar Cells Open access

  8

  citations
• Solving the Bethe-Salpeter equation on massively parallel architectures

  2021 Computer Physics Communications article Computer Science Parallel Computing and Optimization Techniques Open access

  5

  citations
• Sparse Grids Approximation of Goldstone Diagrams in Electronic Structure Calculations

  2021 Lecture notes in computational science and engineering book-chapter Mathematics Mathematical Approximation and Integration

  1

  citations
• Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy

  2020 Physical review. B./Physical review. B article Physics and Astronomy Quantum and electron transport phenomena Open access

  18

  citations

8 results