| Designing solvent systems using self-evolving solubility databases and graph neural networks Y Kim, H Jung, S Kumar, RS Paton, S Kim Chemical Science 15 (3), 923-939, 2024 | | 2024 |
| Effect of the β-hydroxy group on ester reactivity: Combustion kinetics of methyl hexanoate and methyl 3-hydroxyhexanoate SY Mohamed, N Naser, G Fioroni, J Luecke, Y Kim, PCS John, ... Combustion and Flame 258, 113071, 2023 | | 2023 |
| Designing High-Performance Fuels through Graph Neural Networks for Predicting Cetane Number of Multicomponent Surrogate Mixtures Y Kim, S Kumar, J Cho, N Naser, W Ko, PCS John, RL McCormick, S Kim SAE Technical Paper, 2023 | | 2023 |
| Expansion of Bond Dissociation Prediction with Machine Learning to Medicinally and Environmentally Relevant Chemical Space SSS Vejaykummar, Y Kim, S Kim, PS John, R Paton | | 2023 |
| Design Green Chemicals by Predicting Vaporization Properties Using Explainable Graph Attention Networks Y Kim, J Cho, H Jung, LE Meyer, GM Fioroni, K Jeong, RL McCormick, ... | | 2023 |
| Designing solvent systems in chemical processes using self-evolving solubility databases and graph neural networks Y Kim, H Jung, S Kumar, A Claiborne, RS Paton, S Kim | | 2023 |
| Expansion of bond dissociation prediction with machine learning to medicinally and environmentally relevant chemical space SS SV, Y Kim, S Kim, PCS John, RS Paton Digital Discovery 2 (6), 1900-1910, 2023 | | 2023 |
| Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis Y Kim, J Cho, N Naser, S Kumar, K Jeong, RL McCormick, PCS John, ... Proceedings of the Combustion Institute 39 (4), 4969-4978, 2023 | 12 | 2023 |
| Enhancing ϕ-sensitivity of ignition delay times through dilution of fuel-air mixture J Cho, J Luecke, MJ Rahimi, Y Kim, BT Zigler, S Kim Proceedings of the Combustion Institute 39 (4), 4939-4947, 2023 | 1 | 2023 |
| Chemical Kinetics Underlying the Sooting Tendency and Auto-Ignition Characteristics of Linear, Branched, and Cyclic Ether Compounds J Cho, Y Kim, BD Etz, GM Fioroni, J Luecke, J Zhu, PC St John, BT Zigler, ... National Renewable Energy Lab.(NREL), Golden, CO (United States), 2022 | | 2022 |
| Bioderived ether design for low soot emission and high reactivity transport fuels J Cho, Y Kim, BD Etz, GM Fioroni, N Naser, J Zhu, Z Xiang, C Hays, ... Sustainable Energy & Fuels 6 (17), 3975-3988, 2022 | 4 | 2022 |
| Bioderived ether design for low emission and high reactivity transport fuels J Cho, Y Kim, B Etz, G Fioroni, N Naser, J Zhu, Z Xiang, C Hays, ... | | 2021 |
| Understanding how chemical structure affects ignition-delay-time ϕ-sensitivity RA Messerly, JH Luecke, PCS John, BD Etz, Y Kim, BT Zigler, ... Combustion and Flame 225, 377-387, 2021 | 9 | 2021 |
| Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers Y Kim, BD Etz, GM Fioroni, CK Hays, PCS John, RA Messerly, S Vyas, ... Proceedings of the Combustion Institute 38 (1), 1143-1151, 2021 | 16 | 2021 |
| A perspective on biomass-derived biofuels: From catalyst design principles to fuel properties Y Kim, AE Thomas, DJ Robichaud, K Iisa, PCS John, BD Etz, GM Fioroni, ... Journal of Hazardous Materials 400, 123198, 2020 | 32 | 2020 |
| Prediction of hydroxymethylfurfural yield in glucose conversion through investigation of Lewis acid and organic solvent effects Y Kim, A Mittal, DJ Robichaud, HM Pilath, BD Etz, PC St. John, ... ACS Catalysis 10 (24), 14707-14721, 2020 | 44 | 2020 |
| Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules PC St. John, Y Guan, Y Kim, BD Etz, S Kim, RS Paton Scientific Data 7 (1), 244, 2020 | 72 | 2020 |
| Publisher Correction: Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost PC St. John, Y Guan, Y Kim, S Kim, RS Paton Nature Communications 11 (1), 3066, 2020 | 1 | 2020 |
| Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost PC St. John, Y Guan, Y Kim, S Kim, RS Paton Nature communications 11 (1), 2328, 2020 | 198 | 2020 |
| Low Temperature Oxidation of Methylpropyl Ether MR Nimlos, L Bu, MS Johnson, D Kang, GM Fioroni, RL McCormick, ... National Renewable Energy Lab.(NREL), Golden, CO (United States), 2020 | 1 | 2020 |
Robert PatonFixman Ladanyi Professor of Chemistry, Colorado State UniversityVerified email at colostate.edu
