Search results
Results: 36
Number of items: 36
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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 -
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
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Koch, A. H. R., Morsbach, S., Bereau, T., Lévêque, G., Butt, H.-J., Deserno, M., Landfester, K., & Fytas, G. (2020). Probing Nanoparticle/Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and Plasmonics. The journal of Physical Chemistry. B, 124(5), 742-750. https://doi.org/10.1021/acs.jpcb.9b10469
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Rauer, C., & Bereau, T. (2020). Hydration free energies from kernel-based machine learning: Compound-database bias. Journal of Chemical Physics, 153(1), Article 014101. https://doi.org/10.1063/5.0012230
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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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Morsbach, S., Gonella, G., Mailänder, V., Wegner, S., Wu, S., Weidner, T., Berger, R., Koynov, K., Vollmer, D., Encinas, N., Kuan, S. L., Bereau, T., Kremer, K., Weil, T., Bonn, M., Butt, H.-J., & Landfester, K. (2018). Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie - International Edition, 57(39), 12626-12648. https://doi.org/10.1002/anie.201712448
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