Publications of Xiangyue Liu
All genres
Journal Article (14)
2024
Journal Article
, Xiangyue Liu and : Spectroscopic constants from atomic properties: a machine learning approach.
Journal Article
, , , Xiangyue Liu, and : Collisional alignment and molecular rotation control chemi-ionization of individual conformers of hydroquinone with metastable neon.
Journal Article
, , , Xiangyue Liu, and : Publisher Correction: Collisional alignment and molecular rotation control the chemi-ionization of individual conformers of hydroquinone with metastable neon.
Journal Article
Walter, Nicole, Maximilian Doppelbauer, Sascha Schaller, Xiangyue Liu, Russell Thomas, Sidney Wright, Boris G. Sartakov and Gerard Meijer: Triplet Rydberg States of Aluminum Monofluoride.
Journal Article
Wang, Weiqi, Xiangyue Liu and : AlF–AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization.
2023
Journal Article
Liu, Xiangyue, and : The performance of CCSD(T) for the calculation of dipole moments in diatomics.
Journal Article
Liu, Xiangyue, Weiqi Wang and : Molecular dynamics-driven global potential energy surfaces: Application to the AlF dimer.
2022
Journal Article
Liu, Xiangyue, Weiqi Wang, Sidney Wright, Maximilian Doppelbauer, Gerard Meijer, Stefan Truppe and Jesús Pérez-Ríos: The chemistry of AlF and CaF production in buffer gas sources.
Journal Article
Walter, Nicole, Maximilian Doppelbauer, Silvio Marx, Johannes Seifert, Xiangyue Liu, Jesús Pérez-Ríos, , Stefan Truppe and Gerard Meijer: Spectroscopic characterization of the a3Π state of aluminum monofluoride.
2021
Journal Article
Liu, Xiangyue, Gerard Meijer and Jesús Pérez-Ríos: On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach.
Journal Article
Wang, Weiqi, Xiangyue Liu and Jesús Pérez-Ríos: Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O2 Activation on Ag4 Clusters.
2020
Journal Article
Liu, Xiangyue, Gerard Meijer and Jesús Pérez-Ríos: A data-driven approach to determine dipole moments of diatomic molecules.
Journal Article
Liu, Xiangyue, Stefan Truppe, Gerard Meijer and Jesús Pérez-Ríos: The diatomic molecular spectroscopy database.
2019
Journal Article
Sutton, Christopher A., Luca M. Ghiringhelli, , , , , , Xiangyue Liu, Angelo Ziletti and Matthias Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition.
Talk (1)
2024
Talk
Liu, Xiangyue: Dynamics of AlF-AlF: Potential Energy Surface and Intermediate Complex Characterization.
(Seminar, Faculty of Science and Engineering, University of Groningen, Groningen, The Netherlands, Nov 2024).
Thesis - PhD (1)
2024
Thesis - PhD
Liu, Xiangyue: Machine learning and reaction dynamics: From spectroscopic constants of diatomic molecules to buffer gas chemistry.