Rudzinski, J. F., & Bereau, T. (2020). Coarse-grained conformational surface hopping: Methodology and transferability. Journal of Chemical Physics, 153(21), Article 214110. https://doi.org/10.1063/5.0031249

Liu, C., Brandenburg, J. G., Valsson, O., Kremer, K., & Bereau, T. (2020). Free-energy landscape of polymer-crystal polymorphism. Soft Matter, 16(42), 9683-9692. https://doi.org/10.1039/d0sm01342k

Schamboeck, V., Iedema, P. D., & Kryven, I. (2020). Coloured random graphs explain the structure and dynamics of cross-linked polymer networks. Scientific Reports, 10, Article 14627. https://doi.org/10.1038/s41598-020-71417-9

Govindarajan, N. (2020). Modeling solvent effects in catalytic reactions for energy conversion. [Thesis, fully internal, Universiteit van Amsterdam].

Stieffenhofer, M., Wand, M., & Bereau, T. (2020). Adversarial reverse mapping of equilibrated condensed-phase molecular structures. Machine Learning: Science and Technology, 1(4), Article 045014. https://doi.org/10.1088/2632-2153/abb6d4

Hageraats, S., Keune, K., Stankic, S., Stanescu, S., Tromp, M., & Thoury, M. (2020). X-ray Nanospectroscopy Reveals Binary Defect Populations in Sub-micrometric ZnO Crystallites. Journal of Physical Chemistry C, 124(23), 12596-12605. https://doi.org/10.1021/acs.jpcc.0c03381

Gheorghe, A., Strudwick, B., Dawson, D. M., Ashbrook, S. E., Woutersen, S., Dubbeldam, D., & Tanase, S. (2020). Synthesis of Chiral MOF-74 Frameworks by Post-Synthetic Modification by Using an Amino Acid. Chemistry-A European Journal, 26(61), 13957-13965. https://doi.org/10.1002/chem.202002293

Baij, L., Buijs, J., Hermans, J. J., Raven, L., Iedema, P. D., Keune, K., & Sprakel, J. (2020). Quantifying solvent action in oil paint using portable laser speckle imaging. Scientific Reports, 10, Article 10574. https://doi.org/10.1038/s41598-020-67115-1

D'Imporzano, P., Keune, K., Koornneef, J. M., Hermens, E., Noble, P., Van Zuilen, K., & Davies, G. R. (2020). Micro-invasive method for studying lead isotopes in paintings. Archaeometry, 62(4), 796-809. https://doi.org/10.1111/arcm.12549

Rahbari, A., Josephson, T. R., Sun, Y., Moultos, O. A., Dubbeldam, D., Siepmann, J. I., & Vlugt, T. J. H. (2020). Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation. Fluid Phase Equilibria, 523, Article 112785. https://doi.org/10.1016/j.fluid.2020.112785