| Cassandra: An open source Monte Carlo package for molecular simulation JK Shah, E Marin‐Rimoldi, RG Mullen, BP Keene, S Khan, AS Paluch, ... Journal of Computational Chemistry 38 (19), 1727-1739, 2017 | 178 | 2017 |
| Bias free multiobjective active learning for materials design and discovery KM Jablonka, GM Jothiappan, S Wang, B Smit, B Yoo Nature Communications 12 (1), 1-10, 2021 | 157 | 2021 |
| Amphiphilic interactions of ionic liquids with lipid biomembranes: a molecular simulation study B Yoo, JK Shah, Y Zhu, EJ Maginn Soft Matter 10 (43), 8641-8651, 2014 | 143 | 2014 |
| Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach B Yoo, B Jing, SE Jones, GA Lamberti, Y Zhu, JK Shah, EJ Maginn Scientific Reports 6, 2016 | 123 | 2016 |
| Molecular mechanism of ionic-liquid-induced membrane disruption: morphological changes to bilayers, multilayers, and vesicles B Yoo, Y Zhu, EJ Maginn Langmuir 32 (21), 5403-5411, 2016 | 79 | 2016 |
| Solubility parameters for nine ionic liquids B Yoo, W Afzal, JM Prausnitz Industrial & Engineering Chemistry Research 51 (29), 9913-9917, 2012 | 50 | 2012 |
| Recovery of glucose from an aqueous ionic liquid by adsorption onto a zeolite-based solid M Francisco, AN Mlinar, B Yoo, AT Bell, JM Prausnitz Chemical Engineering Journal 172 (1), 184-190, 2011 | 44 | 2011 |
| Molecularly informed field theories from bottom-up coarse-graining N Sherck, K Shen, M Nguyen, B Yoo, S Kohler, JC Speros, KT Delaney, ... ACS Macro Letters 10 (5), 576-583, 2021 | 33 | 2021 |
| Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information K Shen, N Sherck, M Nguyen, B Yoo, S Köhler, J Speros, KT Delaney, ... The Journal of Chemical Physics 153 (15), 2020 | 33 | 2020 |
| Effect of water on the densities and viscosities of some ionic liquids containing a phosphonium cation B Yoo, W Afzal, JM Prausnitz Zeitschrift für Physikalische Chemie 227 (2-3), 157-166, 2013 | 28 | 2013 |
| Discrete Fractional Component Monte Carlo Simulation Study of Dilute Nonionic Surfactants at the Air-Water Interface B Yoo, E Marin-Rimoldi, RG Mullen, A Jusufi, EJ Maginn Langmuir, 2017 | 16 | 2017 |
| Inert-Gas-Stripping Method for Measuring Solubilities of Sparingly Soluble Gases in Liquids. Solubilities of Some Gases in Protic Ionic Liquid 1-Butyl, 3-Hydrogen-imidazolium … W Afzal, B Yoo, JM Prausnitz Industrial & Engineering Chemistry Research 51 (11), 4433-4439, 2012 | 16 | 2012 |
| Predicting polyelectrolyte coacervation from a molecularly informed field-theoretic model M Nguyen, N Sherck, K Shen, CER Edwards, B Yoo, S Köhler, ... Macromolecules 55 (21), 9868-9879, 2022 | 14 | 2022 |
| Henry’s constants and activity coefficients of some organic solutes in 1-butyl, 3-methylimidazolium hydrogen sulfate and in 1-methyl, 3-trimethylsilylmethylimidazolium chloride B Yoo, W Afzal, JM Prausnitz The Journal of Chemical Thermodynamics 57, 178-181, 2013 | 14 | 2013 |
| Predicting surfactant phase behavior with a molecularly informed field theory K Shen, M Nguyen, N Sherck, B Yoo, S Köhler, J Speros, KT Delaney, ... Journal of Colloid and Interface Science 638, 84-98, 2023 | 13 | 2023 |
| A reproducibility study of" Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space" KM Jablonka, F Mcilwaine, S Garcia, B Smit, B Yoo arXiv preprint arXiv:2102.00700, 2021 | 1 | 2021 |
| High throughput screening B Yoo, K Jablonka US Patent App. 18/034,932, 2024 | | 2024 |
| A Molecular Understanding of the Toxic Interactions of Ionic Liquids Towards a Lipid Biomembrane B Yoo, E Maginn, Y Zhu APS March Meeting Abstracts 2015, Z50. 004, 2015 | | 2015 |
| Lipid Biomembrane in Ionic Liquids B Yoo, B Jing, J Shah, E Maginn, YE Zhu APS March Meeting Abstracts 2014, L18. 009, 2014 | | 2014 |
| 2) Materials Research Laboratory, University of California, Santa Barbara, California, 93106, United States 3) BASF Corporation, Tarrytown, New York, 10591, United States 4 … K Shen, N Sherck, M Nguyen, B Yoo, S Köhler, J Speros, KT Delaney, ... | | |
Edward MaginnChemical Engineering, University of Notre DameVerified email at nd.edu