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4 Publications
2024 | Published | Journal Article | IST-REx-ID: 18452 | 
Cheng, B. (2024). Response matching for generating materials and molecules. Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.4c00998
[Published Version]
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| arXiv
2019 | Published | Journal Article | IST-REx-ID: 9680 |
Giberti, F., Cheng, B., Tribello, G. A., & Ceriotti, M. (2019). Iterative unbiasing of quasi-equilibrium sampling. Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.9b00907
[Preprint]
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| arXiv
2017 | Published | Journal Article | IST-REx-ID: 804 |
Schmalhorst, P. S., Deluweit, F., Scherrers, R., Heisenberg, C.-P. J., & Sikora, M. K. (2017). Overcoming the limitations of the MARTINI force field in simulations of polysaccharides. Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.7b00374
[Submitted Version]
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| arXiv
2015 | Published | Journal Article | IST-REx-ID: 17967
Ding, W., Koepf, M., Koenigsmann, C., Batra, A., Venkataraman, L., Negre, C. F. A., … Batista, V. S. (2015). Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-Phenylbenzamide. Journal of Chemical Theory and Computation. American Chemical Society. https://doi.org/10.1021/acs.jctc.5b00823
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