Search results

Jiang, Y., Wang, L., Yan, T., Hu, J., Sun, W., Krishna, R., Wang, D., Gu, Z., Liu, D., Cui, X., Xing, H., & Zhang, Y. (2022). CCDC 2190372: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc2cj85c
Yin, M., Zhang, Q., Fan, T., Fan, C., Pu, S., Krishna, R., & Luo, F. (2022). CCDC 2143612: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc29ylsn
Fu, X.-P., Wang, Y.-L., Zhang, X.-F., Krishna, R., He, C.-T., Liu, Q.-Y., & Chen, B. (2022). CCDC 2104433: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc28mtyp
Fu, X.-P., Wang, Y.-L., Zhang, X.-F., Krishna, R., He, C.-T., Liu, Q.-Y., & Chen, B. (2022). CCDC 2104434: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc28mtzq
Hu, T.-L., Zhang, Q., Lian, X., Krishna, R., & Yang, S.-Q. (2022). CCDC 2113559: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc28ybbx
Wang, G.-D., Krishna, R., Li, Y.-Z., Shi, W.-J., Hou, L., Wang, Y.-Y., & Zhu, Z. (2022). CCDC 2192249: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc2cl6qx
Kanekal, K. H., Rudzinski, J. F., & Bereau, T. (2022). Dataset for "Broad chemical transferability in structure-based coarse-graining" [Data set]. Zenodo. https://doi.org/10.5281/zenodo.6032826
Coile, M. W., Harmon, R. E., Wang, G., SriBala, G., & Broadbelt, L. J. (2022). Kinetic Monte Carlo Tool for Kinetic Modeling of Linear Step-Growth Polymerization: Insight into Recycling of Polyurethanes. Macromolecular Theory and Simulations, 31(2), Article 2100058. https://doi.org/10.1002/mats.202100058
Scheffler, M., Aeschlimann, M., Albrecht, M., Bereau, T., Bungartz, H.-J., Felser, C., Greiner, M., Groß, A., Koch, C. T., Kremer, K., Nagel, W. E., Scheidgen, M., Wöll, C., & Draxl, C. (2022). FAIR data enabling new horizons for materials research. Nature, 604(7907), 635-642. https://doi.org/10.1038/s41586-022-04501-x
Mohr, B., Shmilovich, K., Kleinwächter, I. S., Schneider, D., Ferguson, A. L., & Bereau, T. (2022). Data-driven discovery of cardiolipin-selective small molecules by computational active learning. Chemical Science, 13(16), 4498-4511. https://doi.org/10.1039/d2sc00116k

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