| MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks A Nandy, G Terrones, N Arunachalam, C Duan, DW Kastner, HJ Kulik Scientific Data 9 (1), 74, 2022 | 74 | 2022 |
| A database of ultrastable MOFs reassembled from stable fragments with machine learning models A Nandy, S Yue, C Oh, C Duan, GG Terrones, YG Chung, HJ Kulik Matter 6 (5), 1585-1603, 2023 | 34 | 2023 |
| Low-cost machine learning prediction of excited state properties of iridium-centered phosphors GG Terrones, C Duan, A Nandy, HJ Kulik Chemical Science 14 (6), 1419-1433, 2023 | 15 | 2023 |
| Active Learning Exploration of Transition-Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores C Duan, A Nandy, GG Terrones, DW Kastner, HJ Kulik JACS Au 3 (2), 391-401, 2022 | 13 | 2022 |
| Visible light–mediated aza Paternò–Büchi reaction of acyclic oximes and alkenes to azetidines ER Wearing, YC Yeh, GG Terrones, SG Parikh, I Kevlishvili, HJ Kulik, ... Science 384 (6703), 1468-1476, 2024 | 12* | 2024 |
| Effects of MOF linker rotation and functionalization on methane uptake and diffusion S Yue, C Oh, A Nandy, GG Terrones, HJ Kulik Molecular Systems Design & Engineering 8 (4), 527-537, 2023 | 11 | 2023 |
| Machine Learning Prediction of the Experimental Transition Temperature of Fe (II) Spin-Crossover Complexes V Vennelakanti, IB Kilic, GG Terrones, C Duan, HJ Kulik The Journal of Physical Chemistry A 128 (1), 204-216, 2023 | 5 | 2023 |
| SESAMI APP: an accessible interface for surface area calculation of materials from adsorption isotherms GG Terrones, Y Chen, A Datar, LC Lin, HJ Kulik, YG Chung Journal of Open Source Software 8 (86), 5429, 2023 | 5 | 2023 |
| Metal–Organic Framework Stability in Water and Harsh Environments from Data-Driven Models Trained on the Diverse WS24 Data Set GG Terrones, SP Huang, MP Rivera, S Yue, A Hernandez, HJ Kulik Journal of the American Chemical Society 146 (29), 20333-20348, 2024 | 4 | 2024 |
| A Semi‐Automated, High‐Throughput Approach for the Synthesis and Identification of Highly Photo‐Cytotoxic Iridium Complexes T Kench, A Rahardjo, GG Terrones, A Bellamkonda, TE Maher, M Storch, ... Angewandte Chemie 136 (18), e202401808, 2024 | 3 | 2024 |
| Computational Discovery of Metal-Organic Frameworks with High Water Uptake Capacity for Next-Generation Membranes A Ball, S Yue, G Terrones, H Kulik 2024 AIChE Annual Meeting, 2024 | | 2024 |
| A Literature-Derived Data Set and Machine Learning-Enabled Prediction of Metal-Organic Framework Water Stability G Terrones, S Yue, SP Huang, M Rivera, H Kulik 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Data Set and Data-Driven Models for Predicting Metal-Organic Framework Stability in Water and Harsh Environments G Terrones, SP Huang, M Rivera, S Yue, A Hernandez, H Kulik 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Data-Driven Screening and Discovery of Metal–Organic Frameworks as C2 Adsorbents from over 900 Experimental Isotherms MP Rivera, GG Terrones, TH Lee, ZP Smith, HJ Kulik ACS Applied Materials & Interfaces, 2024 | | 2024 |
| Visible Light-Mediated [2+ 2]-Cycloadditions for the Formation of Macrocyclic Dimers C Schindler, C Ng, S Kim, I Kevlishvili, G Terrones, E Wearing, H Kulik | | 2023 |