Felix Wodaczek
3 Publications
2025 | Published | Journal Article | IST-REx-ID: 18820 | 
Wild, R., Wodaczek, F., Del Tatto, V., Cheng, B., & Laio, A. (2025). Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-024-55449-7
[Published Version]
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2023 | Published | Journal Article | IST-REx-ID: 13216 |
Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030
[Published Version]
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2023 | Published | Journal Article | IST-REx-ID: 14425 |
Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., & Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-41865-8
[Published Version]
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| Files available
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| PubMed | Europe PMC
| arXiv
Grants
3 Publications
2025 | Published | Journal Article | IST-REx-ID: 18820 |
Wild, R., Wodaczek, F., Del Tatto, V., Cheng, B., & Laio, A. (2025). Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-024-55449-7
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Published | Journal Article | IST-REx-ID: 13216 |
Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Published | Journal Article | IST-REx-ID: 14425 |
Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., & Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-41865-8
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv