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Author

Hai‐Chen Wang

Observed names: Hai-Chen Wang, Haichen Wang, Wang, Hai-Chen
Observed institutions: Shanghai University, Guangxi University, National University of Singapore, Research Center Future Energy Materials and Systems, Martin Luther University Halle-Wittenberg, Ruhr University Bochum
ORCID: 0000-0002-2892-5879
Observed ORCID: 0000-0002-2892-5879
OpenAlex ID: A5033476436
Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials
2023 · Jonathan Schmidt, Noah Hoffmann, et al. · Advanced Materials · 183
Improving machine-learning models in materials science through large datasets
2024 · Jonathan Schmidt, Tiago F.T. Cerqueira, et al. · Materials Today Physics · 162
Predicting stable crystalline compounds using chemical similarity
2021 · Hai-Chen Wang, Silvana Botti, et al. · npj Computational Materials · 139
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Universal machine learning interatomic potentials are ready for phonons
2025 · Antoine Loew, Dewen Sun, et al. · npj Computational Materials · 128
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Advanced Raman spectroscopy of Cs2AgBiBr6 double perovskites and identification of Cs3Bi2Br9 secondary phases
2020 · Paul Pistor, Michaela Meyns, et al. · Scripta Materialia · 93
First-principles study of structural stability and elastic properties of MgPd3 and its hydride
2014 · Dong-Hai Wu, Hai-Chen Wang, et al. · Journal of Magnesium and Alloys · 90
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A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals
2022 · Jonathan Schmidt, Hai-Chen Wang, et al. · Scientific Data · 71
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Double perovskites as p-type conducting transparent semiconductors: a high-throughput search
2019 · Hai-Chen Wang, Paul Pistor, et al. · Journal of Materials Chemistry A · 62
Generative AI for crystal structures: a review
2025 · Pierre-Paul De Breuck, Hai-Chen Wang, et al. · npj Computational Materials · 56
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Symmetry-based computational search for novel binary and ternary 2D materials
2023 · Hai-Chen Wang, Jonathan Schmidt, et al. · 2D Materials · 40
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First-Principles Investigation of Dehydrogenation on Cu-Doped MgH 2 (001) and (110) Surfaces
2014 · Hai-Chen Wang, Dong-Hai Wu, et al. · The Journal of Physical Chemistry C · 39
Thermal properties and thermoelasticity of L12 ordered Al3RE (RE=Er, Tm, Yb, Lu) phases: A first-principles study
2016 · Rong-Kai Pan, Hai-Chen Wang, et al. · Materials & Design · 34
A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites
2021 · Hai-Chen Wang, Jonathan Schmidt, et al. · Journal of Materials Chemistry A · 33
The maximum Tc of conventional superconductors at ambient pressure
2025 · Kun Gao, Tiago F. T. Cerqueira, et al. · Nature Communications · 32
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AI-Driven expansion and application of the Alexandria database
2026 · Théo Cavignac, Jonathan Schmidt, et al. · Journal of Physics Materials · 28
Structure, Magnetism, and Thermal Stability of La2NiO2.5F3: A Ruddlesden–Popper Oxyfluoride Crystallizing in Space Group P42/nnm
2021 · Jonas Jacobs, Miguel A. L. Marques, et al. · Inorganic Chemistry · 28
First-principles study of point defects in C14 MgZn2 Laves phase
2015 · Lin Shao, Tao-Tao Shi, et al. · Journal of Alloys and Compounds · 21
Atomic diffusion mediated by vacancy defects in pure and transition element (TM)-doped (TM = Ti, Y, Zr or Hf) L1 2 Al 3 Sc
2016 · Tao-Tao Shi, Jia-Ning Wang, et al. · Materials & Design · 20
Computational screening of materials with extreme gap deformation potentials
2022 · Pedro Borlido, Jonathan Schmidt, et al. · npj Computational Materials · 15
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Effects of single- and co-substitution of Ti on dehydrogenation of Mg 2 NiH 4 : A first-principles study
2015 · Liu-Ting Wei, Xiong-Ze Pan, et al. · Computational Materials Science · 15
Machine-learning accelerated prediction of two-dimensional conventional superconductors
2025 · Thalis H. B. da Silva, Théo Cavignac, et al. · Materials Horizons · 11
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Possible new metastable Mo2Ga2C and its phase transition under pressure: a density functional prediction
2016 · Hai-Chen Wang, Jia-Ning Wang, et al. · Journal of Materials Science · 11
Temperature dependence of elastic properties of L1 2 -Al 3 Sc: A first-principles study
2015 · Rong-Kai Pan, Hai-Chen Wang, et al. · Computational Materials Science · 11
Ruddlesden–Popper Oxyfluorides La2Ni1–xCuxO3F2 (0 ≤ x ≤ 1): Impact of the Ni/Cu Ratio on the Structure
2024 · Jonas Jacobs, Hai-Chen Wang, et al. · Inorganic Chemistry · 10
Machine learning guided high-throughput search of non-oxide garnets
2023 · Jonathan Schmidt, Hai-Chen Wang, et al. · npj Computational Materials · 9
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Works count: 58
Citation count: 1,422
H-index: 18
I10-index: 24
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