Please note that ISTA Research Explorer no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
3 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]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
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]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
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.
View
| DOI
| PubMed | Europe PMC