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Results: 36
Number of items: 36
  • Open Access
    Bause, M., & Bereau, T. (2021). Reweighting non-equilibrium steady-state dynamics along collective variables. Journal of Chemical Physics, 154(13), Article 134105. https://doi.org/10.1063/5.0042972
  • Open Access
    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
  • Open Access
    Bause, M. (2021). Maximum caliber approach to reweight dynamics of non-equilibrium steady states. [Thesis, externally prepared, Universiteit van Amsterdam].
  • Open Access
    Bereau, T. (2021). Computational compound screening of biomolecules and soft materials by molecular simulations. Modelling and Simulation in Materials Science and Engineering, 29(2), Article 023001. https://doi.org/10.1088/1361-651X/abd042
  • Open Access
    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
  • Open Access
    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
  • Open Access
    Scherer, C., Scheid, R., Andrienko, D., & Bereau, T. (2020). Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of Chemical Theory and Computation, 16(5), 3194-3204. https://doi.org/10.1021/acs.jctc.9b01256
  • Centi, A., Dutta, A., Parekh, S. H., & Bereau, T. (2020). Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force. Biophysical Journal, 118(6), 1321-1332. https://doi.org/10.1016/j.bpj.2020.01.039
  • Open Access
    Barnett, J. W., Bilchak, C. R., Wang, Y., Benicewicz, B. C., Murdock, L. A., Bereau, T., & Kumar, S. K. (2020). Designing exceptional gas-separation polymer membranes using machine learning. Science Advances, 6(20), Article eaaz4301. https://doi.org/10.1126/sciadv.aaz4301
  • Open Access
    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
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