See this one, for example, you could look at the method description section: Modeling liquid water by climbing up Jacob's ladder in density functional theory f

See this one, for example, you could look at the method description section: Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials https://arxiv.org/abs/2104.14410 https://arxiv.org/abs/2104.14410 The software that are used are DeePMD-kit: https://github.com/deepmodeling/deepmd-kit https://github.com/deepmodeling/deepmd-kit the corresponding paper is https://arxiv.org/pdf/1712.03641.pdf https://arxiv.org/pdf/1712.03641.pdf