The DOI matches its Crossref record; 106 of the 106 references it cites were found in a registry or an index.
First-principles-based multiscale modelling of heterogeneous catalysis
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The FAIR Guiding Principles for scientific data management and stewardship
Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., et al. (2016) · Scientific Data · doi:10.1038/sdata.2016.18 · Cited by 18,423
Towards the computational design of solid catalysts
Nørskov, J. K., Bligaard, T., Rossmeisl, J., & Christensen, C. H. (2009) · Nature Chemistry · doi:10.1038/nchem.121 · Cited by 4,161
Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
Bartók, A. P., Payne, M. C., Kondor, R., & Csányi, G. (2010) · Physical Review Letters · doi:10.1103/physrevlett.104.136403 · Cited by 3,242
Strong metal-support interactions. Group 8 noble metals supported on titanium dioxide
Tauster, S. J., Fung, S. C., & Garten, R. L. (1978) · Journal of the American Chemical Society · doi:10.1021/ja00469a029 · Cited by 3,188
Strong metal-support interactions
Tauster, S. J. (1987) · Accounts of Chemical Research · doi:10.1021/ar00143a001 · Cited by 1,473
Perspective: Machine learning potentials for atomistic simulations
Behler, J. (2016) · The Journal of Chemical Physics · doi:10.1063/1.4966192 · Cited by 1,448
Ammonia Synthesis from First-Principles Calculations
Honkala, K., Hellman, A., Remediakis, I. N., Logadottir, A., Carlsson, A., Dahl, S., Christensen, C. H., & Nørskov, J. K. (2005) · Science · doi:10.1126/science.1106435 · Cited by 1,336
Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals
Hansen, P. L., Wagner, J. B., Helveg, S., Rostrup-Nielsen, J. R., Clausen, B. S., & Topsøe, H. (2002) · Science · doi:10.1126/science.1069325 · Cited by 1,261
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Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation
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Cited by
Machine Learning for Catalysis Informatics: Recent Applications and Prospects
Toyao, T., Maeno, Z., Takakusagi, S., Kamachi, T., Takigawa, I., & Shimizu, K.-I. (2020) · ACS Catalysis · doi:10.1021/acscatal.9b04186 · Cited by 617
A foundation model for atomistic materials chemistry
Batatia, I., Benner, P., Chiang, Y., Elena, A. M., Kovács, D. P., Riebesell, J., Advincula, X. R., Asta, M., Avaylon, M., Baldwin, W. J., et al. (2024) · arXiv · doi:10.48550/arxiv.2401.00096 · Cited by 604
Self-citationDensity Functional Theory for Electrocatalysis
Liao, X., Lu, R., Xia, L., Liu, Q., Wang, H., Zhao, K., Wang, Z., & Zhao, Y. (2022) · ENERGY & ENVIRONMENTAL MATERIALS · doi:10.1002/eem2.12204 · Cited by 420
Computational chemistry for water-splitting electrocatalysis
Miao, L., Jia, W., Cao, X., & Jiao, L. (2024) · Chemical Society Reviews · doi:10.1039/d2cs01068b · Cited by 241
Xu, W., Diesen, E., He, T., Reuter, K., & Margraf, J. T. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.3c14486 · Cited by 151
Self-citation
Metadata
- Authors
- Bruix, A., Margraf, J. T., Andersen, M., & Reuter, K.
- Venue
- Nature Catalysis
- Published
- 2019-06-24
- Volume
- 2
- Issue
- 8
- Pages
- 659-670
- ISSN
- 2520-1158 (ISSN-L)
- OpenAlex
- W2952544883
- Cited by
- 339
- References
- 106
- FWCI
- 12.68
- Type
- journal article
- Language
- en
- Open access
- closed
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- Bruix, A., Margraf, J. T., Andersen, M., & Reuter, K. (2019). First-principles-based multiscale modelling of heterogeneous catalysis. Nature Catalysis. https://doi.org/10.1038/s41929-019-0298-3
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
