363 citations · 898 across the 14 of their papers we have counts for
3 papers · 1 filter
Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials
Chunyi Zhang, Fujie Tang, Mohan Chen +5
Within the framework of Kohn-Sham density functional theory (DFT), the ability to provide good predictions of water properties by employing a strongly constrained and appropriately…
Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamics
Dongdong Wang, Yanze Wang, Junhan Chang +3
Enhanced sampling methods such as metadynamics and umbrella sampling have become essential tools for exploring the configuration space of molecules and materials. At the same time,…
The Phase Diagram of a Deep Potential Water Model
Linfeng Zhang, Han Wang, Roberto Car +1
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water,…