| Efficient room-temperature phosphorescence of covalent organic frameworks through covalent halogen doping E Hamzehpoor, C Ruchlin, Y Tao, CH Liu, HM Titi, DF Perepichka Nature Chemistry 15 (1), 83-90, 2023 | 202 | 2023 |
| 2D poly (arylene vinylene) covalent organic frameworks via aldol condensation of trimethyltriazine T Jadhav, Y Fang, W Patterson, CH Liu, E Hamzehpoor, DF Perepichka Angewandte Chemie International Edition 58 (39), 13753-13757, 2019 | 199 | 2019 |
| Silver nanoparticle enhanced metal-organic matrix with interface-engineering for efficient photocatalytic hydrogen evolution Y Liu‡, CH Liu‡, T Debnath, Y Wang, D Pohl, LV Besteiro, DM Meira, ... Nature Communications 14 (1), 541, 2023 | 176 | 2023 |
| Se (3)-stochastic flow matching for protein backbone generation AJ Bose, T Akhound-Sadegh, K Fatras, G Huguet, J Rector-Brooks, ... International Conference on Learning Representations, 2023 | 145 | 2023 |
| Transformation between 2D and 3D Covalent Organic Frameworks via Reversible [2+ 2] Cycloaddition T Jadhav‡, Y Fang‡, CH Liu‡, A Dadvand, E Hamzehpoor, W Patterson, ... Journal of the American Chemical Society 142 (19), 8862–8870, 2020 | 145 | 2020 |
| A two-dimensional poly (azatriangulene) covalent organic framework with semiconducting and paramagnetic states V Lakshmi, CH Liu, M Rajeswara Rao, Y Chen, Y Fang, A Dadvand, ... Journal of the American Chemical Society 142 (5), 2155-2160, 2020 | 110 | 2020 |
| Phase-enabled metal-organic framework homojunction for highly selective CO2 photoreduction Y Liu, C Chen, J Valdez, D Motta Meira, W He, Y Wang, C Harnagea, ... Nature Communications 12 (1), 1231, 2021 | 96 | 2021 |
| Iterated Denoising Energy Matching for Sampling from Boltzmann Densities T Akhound-Sadegh, J Rector-Brooks, AJ Bose, S Mittal, P Lemos, CH Liu, ... International Conference on Machine Learning, 2024 | 94 | 2024 |
| Gflownets for ai-driven scientific discovery M Jain, T Deleu, J Hartford, CH Liu, A Hernandez-Garcia, Y Bengio Digital Discovery 2 (3), 557-577, 2023 | 90 | 2023 |
| A Pure‐Red Doublet Emission with 90 % Quantum Yield: Stable, Colorless, Iodinated Triphenylmethane Solid CH Liu, E Hamzehpoor, Y Sakai-Otsuka, T Jadhav, DF Perepichka Angewandte Chemie International Edition 59 (51), 23030-23034, 2020 | 90 | 2020 |
| RetroGNN: fast estimation of synthesizability for virtual screening and de novo design by learning from slow retrosynthesis software CH Liu, M Korablyov, S Jastrzebski, P Włodarczyk-Pruszynski, Y Bengio, ... Journal of Chemical Information and Modeling 62 (10), 2293-2300, 2022 | 87* | 2022 |
| Sequence-Augmented SE (3)-Flow Matching For Conditional Protein Backbone Generation G Huguet, J Vuckovic, K Fatras, E Thibodeau-Laufer, P Lemos, R Islam, ... Advances in Neural Information Processing Systems, 2024 | 82 | 2024 |
| Strong Enhancement of π‐Electron Donor/Acceptor Ability by Complementary DD/AA Hydrogen Bonding CH Liu, MR Niazi, DF Perepichka Angewandte Chemie International Edition 58 (48), 17312-17321, 2019 | 70 | 2019 |
| Diffusion generative flow samplers: Improving learning signals through partial trajectory optimization D Zhang, RTQ Chen, CH Liu, A Courville, Y Bengio International Conference on Learning Representations, 2023 | 60 | 2023 |
| Thiele’s fluorocarbons: Stable diradicaloids with efficient visible-to-near-infrared fluorescence from a zwitterionic excited state CH Liu, Z He, C Ruchlin, Y Che, K Somers, DF Perepichka Journal of the American Chemical Society 145 (29), 15702-15707, 2023 | 42 | 2023 |
| RGFN: Synthesizable Molecular Generation Using GFlowNets M Koziarski, A Rekesh, D Shevchuk, A van der Sloot, P Gaiński, Y Bengio, ... Advances in Neural Information Processing Systems, 2024 | 37 | 2024 |
| Thompson sampling for improved exploration in GFlowNets J Rector-Brooks, K Madan, M Jain, M Korablyov, CH Liu, S Chandar, ... ICML 2023 SPIGM Workshop, 2023 | 34 | 2023 |
| Evaluating generalization in gflownets for molecule design AC Nica, M Jain, E Bengio, CH Liu, M Korablyov, MM Bronstein, Y Bengio ICLR2022 Machine Learning for Drug Discovery, 2022 | 31 | 2022 |
| Multi-fidelity active learning with gflownets A Hernandez-Garcia, N Saxena, M Jain, CH Liu, Y Bengio Transactions on Machine Learning Research, 2023 | 26 | 2023 |
| Steering masked discrete diffusion models via discrete denoising posterior prediction J Rector-Brooks, M Hasan, Z Peng, Z Quinn, C Liu, S Mittal, N Dziri, ... International Conference on Learning Representations, 2024 | 25 | 2024 |
Dmytro F. PerepichkaMcGill UniversityVerified email at mcgill.ca
