2026-06-03T01:09:13Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:154 2019-06-01T00:00:00Z openaire_data community-mcarchive

Guo, Zhendong Pasquarello, Alfredo Guo, Zhendong Ambrosio, Francesco Pasquarello, Alfredo 2019-06-01 This entry provides MD trajectories for bulk water and the water-vacuum interface generated with ab initio molecular dynamics using rVV10 density functional at the temperature of 350 K. In the rVV10 functional, the parameter b is set to 9.3. application/zip text/plain application/zip text/markdown https://doi.org/10.24435/materialscloud:2019.0030/v1 oai:materialscloud.org:154 mcid:2019.0030/v1 eng Materials Cloud https://doi.org/10.1021/acs.jpclett.8b00891 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:d4-gb info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode MD trajectory rVV10 functional H2O water-vacuum interface MD trajectories of bulk water and of the water-vacuum interface info:eu-repo/semantics/other