AMS Newsletter: December 2022
  • New tutorials
    • Work functions of surfaces and interfaces
    • Chemical vapor deposition / Atomic layer deposition with ReaxFF
    • Thermal transport with non-equilibrium MD
    • Beyond continuum solvation with 3D-RISM
  • Tip of the week and webinar videos
    • Tip: Work functions of surfaces and interfaces
    • Tip: Faster vibrational spectra with mode refinement
    • Scalable qsGW and BSE with ADF
    • PolTDDFT: excitation spectra of large systems
    • r2SCAN-3c(STO) a reliable composite method
    • Ligand-field DFT for coordination chemistry
  • Recent papers using the Amsterdam Modeling Suite
    • COSMO-RS: solvent selection for CO2 capture
    • Large-scale self-consistent GS-BWE with ADF
    • Ultralight aerogels from proteins with ReaxFF
    • Finding the best structure with MS & DFT
    • Thermal management: conductivity of COFs
See more on SCM webpage.