Cheng-Hao Liu
Cheng-Hao Liu
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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
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
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
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
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
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
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
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
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
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
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
Understanding the Photovoltaic Behavior of A–D–A Molecular Semiconductors through a Permutation of End Groups
Y Che, Y Zhang, Y Yang, CH Liu, R Izquierdo, SS Xiao, DF Perepichka
The Journal of organic chemistry 85 (1), 52-61, 2019
Thompson sampling for improved exploration in GFlowNets
J Rector-Brooks, K Madan, M Jain, M Korablyov, CH Liu, S Chandar, ...
ICML2023 SPIGM Workshop, 2023
Se (3)-stochastic flow matching for protein backbone generation
AJ Bose, T Akhound-Sadegh, K Fatras, G Huguet, J Rector-Brooks, ...
arXiv preprint arXiv:2310.02391, 2023
Vanishing Electronic Band Gap in Two-Dimensional Hydrogen-Bonded Organic Frameworks
CH Liu, A Wei, MF Cheung, DF Perepichka
Chemistry of Materials 34 (7), 3461-3467, 2022
Diffusion generative flow samplers: Improving learning signals through partial trajectory optimization
D Zhang, RTQ Chen, CH Liu, A Courville, Y Bengio
arXiv preprint arXiv:2310.02679, 2023
Multi-fidelity active learning with gflownets
A Hernandez-Garcia, N Saxena, M Jain, CH Liu, Y Bengio
arXiv preprint arXiv:2306.11715, 2023
A community effort in SARS‐CoV‐2 drug discovery
J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ...
Molecular Informatics 43 (1), e202300262, 2024
Towards equilibrium molecular conformation generation with GFlowNets
A Volokhova, M Koziarski, A Hernández-García, CH Liu, S Miret, P Lemos, ...
Digital Discovery, 2024
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
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