Propensity of water self-ions at air(oil)-water interfaces revealed by deep potential molecular dynamics with enhanced sampling (Under Review) arXiv link
From DFT to DeePKS to DeePMD | DeePKS Basics
From DFT to DeePKS to DeePMD | DeePKS Toturials
OPES (on-the-fly probability enhanced sampling)
Voronoi CVs for enhanced sampling autoionization and tautomerism
Note: The above web links have Chinese to English translations.
Requiring the installation of the OPES module. To use additional Voronoi CVs code, put .cpp files into /your_plumed_path/plumed/src/colvar, and then compile plumed, or use the LOAD command directly.
Incorporating lammps and plumed, follow plumed-feedstock to overlay default plumed version.
Incorporating plumed