All Stories

  1. A chemical theory for molecules at electrochemical interfaces
  2. Perdew Festschrift editorial
  3. Development of a machine learning finite-range nonlocal density functional
  4. Toward a general neural network force field for protein simulations: Refining the intramolecular interaction in protein
  5. Reformulation of thermally assisted-occupation density functional theory in the Kohn–Sham framework
  6. Combining localized orbital scaling correction and Bethe–Salpeter equation for accurate excitation energies
  7. Describing polymer polarizability with localized orbital scaling correction in density functional theory
  8. Charge transfer excitation energies from ground state density functional theory calculations
  9. Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation