Skoruppa, E., Voorspoels, A., Vreede, J., & Carlon, E. (2021). Length-scale-dependent elasticity in DNA from coarse-grained and all-atom models. Physical Review E, 103(4), Article 042408. https://doi.org/10.1103/PhysRevE.103.042408

Liu, Z., Yuan, J., van Baten, J. M., Zhou, J., Tang, X., Zhao, C., Chen, W., Yi, X., Krishna, R., Sastre, G., & Zheng, A. (2021). Synergistically enhance confined diffusion by continuum intersecting channels in zeolites. Science Advances, 7(11), Article eabf0775. https://doi.org/10.1126/sciadv.abf0775

Torres-Knoop, A., Schamboeck, V., Govindarajan, N., Iedema, P. D., & Kryven, I. (2021). Effect of different monomer precursors with identical functionality on the properties of the polymer network. Communications Materials, 2, Article 50. https://doi.org/10.1038/s43246-021-00154-x

Peng, Y.-L., Wang, T., Jin, C., Deng, C.-H., Zhao, Y., Liu, W., Forrest, K. A., Krishna, R., Chen, Y., Pham, T., Space, B., Cheng, P., Zaworotko, M. J., & Zhang, Z. (2021). Efficient propyne/propadiene separation by microporous crystalline physiadsorbents. Nature Communications, 12, Article 5768. https://doi.org/10.1038/s41467-021-25980-y

Girard, M., & Bereau, T. (2021). Finite-size transitions in complex membranes. Biophysical Journal, 120(12), 2436-2443. https://doi.org/10.1016/j.bpj.2021.03.043

Polat, H. M., Salehi, H. S., Hens, R., Wasik, D. O., Rahbari, A., de Meyer, F., Houriez, C., Coquelet, C., Calero, S., Dubbeldam, D., Moultos, O. A., & Vlugt, T. J. H. (2021). New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of Chemical Information and Modeling, 61(8), 3752-3757. https://doi.org/10.1021/acs.jcim.1c00652

Swinkels, P. J. M., Stuij, S. G., Gong, Z., Jonas, H., Ruffino, N., van der Linden, B., Bolhuis, P. G., Sacanna, S., Woutersen, S., & Schall, P. (2021). Revealing pseudorotation and ring-opening reactions in colloidal organic molecules. Nature Communications, 12, Article 2810. https://doi.org/10.1038/s41467-021-23144-6

Brotzakis, Z. F., Vendruscolo, M., & Bolhuis, P. G. (2021). A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations. Proceedings of the National Academy of Sciences of the United States of America, 118(2), Article e2012423118. https://doi.org/10.1073/pnas.2012423118

Rahbari, A., Hens, R., Ramdin, M., Moultos, O. A., Dubbeldam, D., & Vlugt, T. J. H. (2021). Recent advances in the continuous fractional component Monte Carlo methodology. Molecular Simulation, 47(10-11), 804-823. https://doi.org/10.1080/08927022.2020.1828585

Bolhuis, P. G., Brotzakis, Z. F., & Vendruscolo, M. (2021). A maximum caliber approach for continuum path ensembles. The European Physical Journal B. Condensed Matter Physics, 94(9), Article 188. https://doi.org/10.1140/epjb/s10051-021-00154-3