1. Optimized symmetry functions for machine-learning interatomic potentials of multicomponent systems
  2. A neural-network potential through charge equilibration for WS2: From clusters to sheets
  3. Two-Dimensional Hexagonal Sheet of TiO2
  4. Energy landscape of ZnO clusters and low-density polymorphs
  5. High accuracy and transferability of a neural network potential through charge equilibration for calcium fluoride
  6. Surface reconstructions and premelting of the (100) CaF2 surface


  1. FLAME: A library of atomistic modeling environments
  2. Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
  3. Crystal structure prediction using the minima hopping method
  4. A Particle-Particle, Particle-Density (P3D) algorithm for the calculation of electrostatic interactions of particles with slab-like geometry
  5. An enhanced splined saddle method
  6. Highly accurate and efficient algorithm for electrostatic interaction of charged particles confined by metallic parallel plates
  7. Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network