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5 Publications
2025 | Published | Journal Article | IST-REx-ID: 20704
P. Tuo, Z. Zeng, J. Chen, and B. Cheng, “Scalable multitemperature free energy sampling of classical Ising spin states,” Journal of Chemical Theory and Computation, vol. 21, no. 22. American Chemical Society, pp. 11427–11435, 2025.
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2025 | Published | Journal Article | IST-REx-ID: 20926 | 
D. Kim et al., “A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials,” Journal of Chemical Theory and Computation, vol. 21, no. 24. American Chemical Society, pp. 12709–12724, 2025.
[Preprint]
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2024 | Published | Journal Article | IST-REx-ID: 18452 |
B. Cheng, “Response matching for generating materials and molecules,” Journal of Chemical Theory and Computation, vol. 20, no. 20. American Chemical Society, pp. 9259–9266, 2024.
[Published Version]
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| arXiv
2019 | Published | Journal Article | IST-REx-ID: 9680 |
F. Giberti, B. Cheng, G. A. Tribello, and M. Ceriotti, “Iterative unbiasing of quasi-equilibrium sampling,” Journal of Chemical Theory and Computation, vol. 16, no. 1. American Chemical Society, pp. 100–107, 2019.
[Preprint]
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| arXiv
2015 | Published | Journal Article | IST-REx-ID: 17967
W. Ding 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, pp. 5888–5896, 2015.
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