Just another WordPress site - Ruhr-Universität Bochum
Haichen Wang
Interdisciplinary Centre For Advanced Materials Simulation
Ruhr-Universität Bochum
ZGH 00-105
Universitätsstraße 150
44801 Bochum
E-Mail: haichen.wang@rub.de
Competences
density functional theory
high-throughput machine learning
inorganic functional materials
- T. da Silva, T. Cavignac, T. Cerqueira, H. Wang, et al.
Machine-learning accelerated prediction of two-dimensional conventional superconductors. Materials Horizons, -, -, (2025) - A. Loew, H. Wang, T. Cerqueira, M. Marques
Training machine learning interatomic potentials for accurate phonon properties. Machine Learning: Science and Technology, 5, 045019, (2024) - J. Schmidt, T. Cerqueira, A. Romero, A. Loew, et al.
Improving machine-learning models in materials science through large datasets. Materials Today Physics, 48, 101560, (2024) - H. Wang, T. Rauch, A. Tellez-Mora, L. Wirtz, et al.
Exploring flat-band properties in two-dimensional M3QX7 compounds. Physical Chemistry Chemical Physics, 26, 21558–21567, (2024) - J. Jacobs, H. Wang, M. Marques, S. Ebbinghaus
Ruddlesden–Popper oxyfluorides La2Ni1–xCuxO3F2 (0 ≤ x ≤ 1): Impact of the Ni/Cu ratio on the thermal stability and magnetic properties. Inorganic Chemistry, 63, 11317-11324, (2024) - J. Jacobs, H. Wang, M. Marques, K. Xu, et al.
Ruddlesden–Popper oxyfluorides La2Ni1–xCuxO3F2 (0 ≤ x ≤ 1): Impact of the Ni/Cu ratio on the structure. Inorganic Chemistry, 63, 6075–6081, (2024) - H. Wang, A. Huran, M. Marques, M. Nalabothula, et al.
Two-dimensional noble metal chalcogenides in the frustrated snub-square lattice. The Journal of Physical Chemistry Letters, 14, 9969-9977, (2023) - H. Wang, J. Schmidt, M. Marques, L. Wirtz, A. Romero
Symmetry-based computational search for novel binary and ternary 2D materials. 2D Materials, 10, 035007, (2023) - J. Schmidt, H. Wang, G. Schmidt, M. Marques
Machine learning guided high-throughput search of non-oxide garnets. npj Computational Materials, 9, 63, (2023) - P. Borlido, J. Schmidt, H. Wang, S. Botti, M. Marques
Computational screening of materials with extreme gap deformation potentials. npj Computational Materials, 8, 156, (2022) - J. Schmidt, H. Wang, T. Cerqueira, S. Botti, M. Marques
A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals. Scientific Data, 9, 64, (2022) - A. Huran, H. Wang, M. Marques
Two-dimensional binary metal-oxide quasicrystal approximants. 2D Materials, 8, 045002, (2021) - J. Jacobs, M. Marques, H. Wang, E. Dieterich, S. Ebbinghaus
Structure, magnetism, and thermal stability of La2NiO2.5F3: a Ruddlesden–Popper oxyfluoride crystallizing in space group P42/nnm. Inorganic Chemistry, 60, 13646–13657, (2021) - A. Huran, H. Wang, A. San-Miguel, M. Marques
Atomically thin pythagorean tilings in two dimensions. The Journal of Physical Chemistry Letters, 12, 4972–4979, (2021) - H. Wang, J. Schmidt, S. Botti, M. Marques
A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites. Journal of Materials Chemistry A, 9, 8501–8513, (2021) - H. Wang, S. Botti, M. Marques
Predicting stable crystalline compounds using chemical similarity. npj Computational Materials, 7, 12, (2021) - P. Pistor, M. Meyns, M. Guc, H. Wang, et al.
Advanced Raman spectroscopy of Cs2AgBiBr6 double perovskites and identification of Cs3Bi2Br9 secondary phases. Scripta Materialia, 184, 24–29, (2020) - H. Wang, P. Pistor, M. Marques, S. Botti
Double perovskites as p-type conducting transparent semiconductors: a high-throughput search. Journal of Materials Chemistry A, 7, 14705–14711, (2019)