Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculations, Outcome of GIMRT collaboration (202012-SCKXX-0026, 202112-SCKXX-0011, 202212-SCKXX-0509).
Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculations
Journal of Physics: Condensed Matter [DOI: 10.1088/1361-648X/ad1137]
2021
Benchmark for Ab Initio Prediction of Magnetic Structures Based on Cluster-Multipole Theory
https://journals.aps.org/prx/abstract/10.1103/PhysRevX.11.011031
2020
“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking
https://pubs.rsc.org/en/content/articlelanding/2020/sc/c9sc05902d#!divAbstract
2019
Triboemission of hydrocarbon molecules from diamond-like carbon friction interface induces atomic-scale wear
