European Theoretical Spectroscopy Facility

Recent papers from European Theoretical Spectroscopy Facility

1. Functional and Density-Driven Errors in Density Functional Theory: Quantum Monte Carlo Benchmarks for SolidsJournal of Chemical Theory and Computation · 2026
2. Algebraic Diagrammatic Construction of the Multichannel Dyson EquationJournal of Chemical Theory and Computation · 2026
3. Theoretical Foundations of Goldene PlasmonicsNano Letters · 2026
4. First-principles description of pumped inelastic x-ray scattering: Example of K-edge RIXS in graphiteThe Journal of Chemical Physics · 2026
5. Efficient Nonequilibrium Electron Dynamics from First-Principles: Leveraging Koopmans Spectral Functionals and Wannier LocalizationJournal of Chemical Theory and Computation · 2026
6. From unusual mechanical response to Dirac-like behavior: Topology-driven evolution of physical properties in holey borophenesMaterials Today Communications · 2026
7. Temperature Capacitive Sensors Based on Liquid Crystalline GelsACS Applied Materials & Interfaces · 2026
8. 2D theoretically twistable material databaseScience · 2026
9. Surface Plasmons in the ContinuumThe Journal of Physical Chemistry Letters · 2026
10. Disentangling Electronic and Lattice Contributions to Transient Absorption in Metal Halide Perovskites: A First-Principles Study of CH3NH3PbBr3Journal of the American Chemical Society · 2026
11. Non-Hermitian multi-cavity reflective optical limiters engineered via exceptional points of degeneracyJournal of Applied Physics · 2026
12. High‐throughput, high‐fidelity reconstruction of whole mouse‐heart cytoarchitecture at cellular scaleThe Journal of Physiology · 2026
13. Fingerprints of excitonic collective modes in the two-dimensional electron gasPhysical review. B./Physical review. B · 2026
14. On the Use of Dispersion Corrections by Default in Computational CatalysiscScience · 2026
15. The Open Cluster Chemical Abundances and Mapping Survey. IX. Measuring the Effects of Stellar Diffusion in the Open Clusters NGC 752 and Ruprecht 147 Using APOGEEThe Astrophysical Journal · 2026
16. 2D Abrupt Nano‐Junctions Blending sp – sp 2 Bonds on Atomically Precise HeterostructuresAdvanced Materials · 2026
17. Identifying potential climate refugia for coastal spruce-fir forests along the Gulf of MaineGlobal Ecology and Conservation · 2026
18. Meditation styles are highly discriminable from EEG at the subject level with limited generalization across the population: a machine-learning studyFrontiers in Artificial Intelligence · 2026
19. Effective Residual Interaction Kernel Approach for Optical SpectraPhysical Review Letters · 2026
20. Real-time time-dependent density functional theory study of optical Kerr nonlinearities in semiconductors and metalsnpj Computational Materials · 2026