| Erythrocyte membrane-coated nanogel for combinatorial antivirulence and responsive antimicrobial delivery against Staphylococcus aureus infection Y Zhang, J Zhang, W Chen, P Angsantikul, KA Spiekermann, RH Fang, ... Journal of Controlled Release 263, 185-191, 2017 | 152 | 2017 |
| Coating Nanoparticles with Gastric Epithelial Cell Membrane for Targeted Antibiotic Delivery against Helicobacter pylori Infection P Angsantikul, S Thamphiwatana, Q Zhang, K Spiekermann, J Zhuang, ... Advanced therapeutics 1 (2), 1800016, 2018 | 145 | 2018 |
| Biomimetic nanoemulsions for oxygen delivery in vivo J Zhuang, M Ying, K Spiekermann, M Holay, Y Zhang, F Chen, H Gong, ... Advanced materials 30 (49), 1804693, 2018 | 98 | 2018 |
| RMG database for chemical property prediction MS Johnson, X Dong, A Grinberg Dana, Y Chung, D Farina Jr, RJ Gillis, ... Journal of Chemical Information and Modeling 62 (20), 4906-4915, 2022 | 44 | 2022 |
| Fast predictions of reaction barrier heights: toward coupled-cluster accuracy KA Spiekermann, L Pattanaik, WH Green The Journal of Physical Chemistry A 126 (25), 3976-3986, 2022 | 39 | 2022 |
| High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions K Spiekermann, L Pattanaik, WH Green Scientific Data 9 (1), 417, 2022 | 30 | 2022 |
| Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software AG Dana, MS Johnson, JW Allen, S Sharma, S Raman, M Liu, CW Gao, ... International Journal of Chemical Kinetics 55 (6), 300-323, 2023 | 20 | 2023 |
| Coating nanoparticles with gastric epithelial cell membrane for targeted antibiotic delivery against P Angsantikul, S Thamphiwatana, Q Zhang, K Spiekermann, J Zhuang, ... Helicobacter pylori, 0 | 12 | |
| Detailed Reaction Mechanism for 350–400 C Pyrolysis of an Alkane, Aromatic, and Long-Chain Alkylaromatic Mixture AM Payne, KA Spiekermann, WH Green Energy & Fuels 36 (3), 1635-1646, 2022 | 11 | 2022 |
| Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software AG Dana, M Johnson, J Allen, S Sharma, S Raman, M Liu, C Gao, ... | 8 | 2022 |
| Comment on ‘physics-based representations for machine learning properties of chemical reactions’ KA Spiekermann, T Stuyver, L Pattanaik, WH Green Machine Learning: Science and Technology 4 (4), 048001, 2023 | 4 | 2023 |
| Machine Learning Validation via Rational Dataset Sampling with astartes JW Burns, KA Spiekermann, H Bhattacharjee, DG Vlachos, WH Green Journal of Open Source Software 8 (91), 5996, 2023 | 2 | 2023 |
| An Automated Workflow to Rapidly and Accurately Generate Transition State Structures Using Machine Learning L Pattanaik, X Dong, K Spiekermann, W Green 2021 AIChE Annual Meeting, 2021 | 2 | 2021 |
| ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents L Pattanaik, A Menon, V Settels, KA Spiekermann, Z Tan, FH Vermeire, ... The Journal of Physical Chemistry B 127 (47), 10151-10170, 2023 | 1 | 2023 |
| When Do Quantum Mechanical Descriptors Help Graph Neural Networks Predict Chemical Properties? SC Li, H Wu, A Menon, K Spiekermann, YP Li, W Green | | 2024 |
| Recent Advances in Predictive Kinetics W Green, X Dong, HW Pang, YT Wang, K Spiekermann, H Wu, Y Chung, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Assessing the Impact of Quantum Mechanical Descriptors on D-Mpnn Performance for Chemical Property Prediction SC Li, A Menon, H Wu, K Spiekermann, W Green 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Quantumpioneer: Self-Evolving Machine for High-Throughput Automated Potential Energy Surface Exploration and Closed-Loop Chemical Reactivity Discovery H Wu, HW Pang, X Dong, JW Burns, K Spiekermann, A Menon, J Zheng, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Enabling Accurate and High-Throughput Kinetics Predictions via Message Passing Neural Networks KA Spiekermann Massachusetts Institute of Technology, 2023 | | 2023 |
| An End-to-End Workflow for Diverse Transition State Conformer Generation Using Machine Learning L Pattanaik, X Dong, H Wu, K Spiekermann, HW Pang, W Green 2022 AIChE Annual Meeting, 2022 | | 2022 |
William H. GreenHoyt C. Hottel Professor of Chemical Engineering, MITVerified email at mit.edu
