https://researchdata.se/en/catalogue Search results en This record contains neuroevolution potential (NEP) and tensor neuroevolution potential (TNEP) models (nep*.txt) for molecular water species, liquid water as well as barium zirconate, along with training data (*.zip). The models were constructed using GPUMD 3.9 (https://gpumd.org/). Mon, 04 Dec 2023 00:00:00 GMT https://researchdata.se/en/catalogue/dataset/doi-10-5281-zenodo-10257363 https://researchdata.se/en/catalogue/dataset/doi-10-5281-zenodo-10257363 Chalmers University of Technology Xu, Nan Rosander, Petter Schäfer, Christian Lindgren, Eric Österbacka, Nicklas Fang, Mandi Chen, Wei He, Yi Fan, Zheyong Erhart, Paul