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4 Publications
2024 | Published | Journal Article | IST-REx-ID: 18452 | 
Cheng, Bingqing. “Response Matching for Generating Materials and Molecules.” Journal of Chemical Theory and Computation, vol. 20, no. 20, American Chemical Society, 2024, pp. 9259–66, doi:10.1021/acs.jctc.4c00998.
[Published Version]
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2019 | Published | Journal Article | IST-REx-ID: 9680 |
Giberti, F., et al. “Iterative Unbiasing of Quasi-Equilibrium Sampling.” Journal of Chemical Theory and Computation, vol. 16, no. 1, American Chemical Society, 2019, pp. 100–07, doi:10.1021/acs.jctc.9b00907.
[Preprint]
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2017 | Published | Journal Article | IST-REx-ID: 804 |
Schmalhorst, Philipp S., et al. “Overcoming the Limitations of the MARTINI Force Field in Simulations of Polysaccharides.” Journal of Chemical Theory and Computation, vol. 13, no. 10, American Chemical Society, 2017, pp. 5039–53, doi:10.1021/acs.jctc.7b00374.
[Submitted Version]
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2015 | Published | Journal Article | IST-REx-ID: 17967
Ding, Wendu, et al. “Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide.” Journal of Chemical Theory and Computation, vol. 11, no. 12, American Chemical Society, 2015, pp. 5888–96, doi:10.1021/acs.jctc.5b00823.
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