| Artificial intelligence for science in quantum, atomistic, and continuum systems X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie, M Liu, Y Lin, Z Xu, K Yan, ... arXiv preprint arXiv:2307.08423, 2023 | 78 | 2023 |
| Facile synthesis and characterization of Bi 13 S 18 I 2 films as a stable supercapacitor electrode material K Adams, AF González, J Mallows, T Li, JHJ Thijssen, N Robertson Journal of Materials Chemistry A 7 (4), 1638-1646, 2019 | 38 | 2019 |
| Learning 3d representations of molecular chirality with invariance to bond rotations K Adams, L Pattanaik, CW Coley arXiv preprint arXiv:2110.04383, 2021 | 36 | 2021 |
| Thiourea bismuth iodide: crystal structure, characterization and high performance as an electrode material for supercapacitors T Li, J Mallows, K Adams, GS Nichol, JHJ Thijssen, N Robertson Batteries & Supercaps 2 (6), 568-575, 2019 | 26 | 2019 |
| Equivariant shape-conditioned generation of 3d molecules for ligand-based drug design K Adams, CW Coley arXiv preprint arXiv:2210.04893, 2022 | 23 | 2022 |
| Cs3Bi2I9 as high-performance electrode material achieving high capacitance and stability in an economical supercapacitor K Adams, J Mallows, T Li, D Kampouris, JHJ Thijssen, N Robertson Journal of Physics: Energy 1 (3), 034001, 2019 | 18 | 2019 |
| Artificial intelligence for science in quantum, atomistic, and continuum systems. arXiv 2023 X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie, M Liu, Y Lin, Z Xu, K Yan, ... arXiv preprint arXiv:2307.08423 10, 2023 | 5 | 2023 |
| Relating the Carriers of λ5797. 1 Diffuse Interstellar Band and λ5800 Red Rectangle Band K Adams, T Oka The Astrophysical Journal 886 (2), 138, 2019 | 4 | 2019 |
| Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks Y Zhu, J Hwang, K Adams, Z Liu, B Nan, B Stenfors, Y Du, J Chauhan, ... The Twelfth International Conference on Learning Representations, 2023 | 2 | 2023 |
| Datasets and models enclosed within the paper: Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl … B Haas, M Hardy, SS Santhanalakkshmi_Vejaykummar, K Adams, ... figshare, 2024 | 1 | 2024 |
| Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries A Jain, IA Shkrob, HA Doan, K Adams, JS Moore, RS Assary ACS Applied Materials & Interfaces 15 (50), 58309-58319, 2023 | 1 | 2023 |
| Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines B Haas, M Hardy, SS SV, K Adams, C Coley, R Paton, M Sigman | | 2024 |
| Identity of the Carrier of λ5797 Diffuse Interstellar Band and λ5800 Red-Rectangle Emission Band K Adams, T Oka 73rd International Symposium on Molecular Spectroscopy, RL10, 2018 | | 2018 |
