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3 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. 20(20), 9259–9266.
[Published Version]
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| PubMed | Europe PMC
| arXiv
2019 | Published | Journal Article | IST-REx-ID: 9680 |
Giberti F, Cheng B, Tribello GA, Ceriotti M. 2019. Iterative unbiasing of quasi-equilibrium sampling. Journal of Chemical Theory and Computation. 16(1), 100–107.
[Preprint]
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| arXiv
2015 | Published | Journal Article | IST-REx-ID: 17967
Ding W, Koepf M, Koenigsmann C, Batra A, Venkataraman L, Negre CFA, Brudvig GW, Crabtree RH, Schmuttenmaer CA, Batista VS. 2015. Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-Phenylbenzamide. Journal of Chemical Theory and Computation. 11(12), 5888–5896.
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| PubMed | Europe PMC