| Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets MY Jeon, D Kim, P Kumar, PS Lee, N Rangnekar, P Bai, M Shete, ... Nature 543 (7647), 690-694, 2017 | 507 | 2017 |
| Electrochemically Driven, Ni-Catalyzed Aryl Amination: Scope, Mechanism, and Applications Y Kawamata, JC Vantourout, DP Hickey, P Bai, L Chen, Q Hou, W Qiao, ... Journal of the American Chemical Society 141 (15), 6392-6402, 2019 | 310 | 2019 |
| Solvent-enabled control of reactivity for liquid-phase reactions of biomass-derived compounds MA Mellmer, C Sanpitakseree, B Demir, P Bai, K Ma, M Neurock, ... Nature Catalysis 1 (3), 199-207, 2018 | 247 | 2018 |
| TraPPE-zeo: Transferable potentials for phase equilibria force field for all-silica zeolites P Bai, M Tsapatsis, JI Siepmann The Journal of Physical Chemistry C 117 (46), 24375-24387, 2013 | 175 | 2013 |
| Effects of chloride ions in acid-catalyzed biomass dehydration reactions in polar aprotic solvents MA Mellmer, C Sanpitakseree, B Demir, K Ma, WA Elliott, P Bai, ... Nature communications 10 (1), 1132, 2019 | 153 | 2019 |
| Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling P Bai, MY Jeon, L Ren, C Knight, MW Deem, M Tsapatsis, JI Siepmann Nature Communications 6, 5912, 2015 | 124 | 2015 |
| Ab Initio Derived Force Fields for Predicting CO2 Adsorption and Accessibility of Metal Sites in the Metal–Organic Frameworks M-MOF-74 (M = Mn, Co, Ni, Cu) E Haldoupis, J Borycz, H Shi, KD Vogiatzis, P Bai, WL Queen, L Gagliardi, ... The Journal of Physical Chemistry C 119 (28), 16058-16071, 2015 | 107 | 2015 |
| Multicomponent adsorption of alcohols onto silicalite-1 from aqueous solution: isotherms, structural analysis, and assessment of ideal adsorbed solution theory P Bai, M Tsapatsis, JI Siepmann Langmuir 28 (44), 15566-15576, 2012 | 90 | 2012 |
| Understanding solvent effects on adsorption and protonation in porous catalysts NS Gould, S Li, HJ Cho, H Landfield, S Caratzoulas, D Vlachos, P Bai, ... Nature Communications 11 (1), 1060, 2020 | 87 | 2020 |
| Understanding Diffusion in Hierarchical Zeolites with House-of-Cards Nanosheets P Bai, E Haldoupis, PJ Dauenhauer, M Tsapatsis, JI Siepmann ACS Nano 10 (8), 7612–7618, 2016 | 71 | 2016 |
| Computational Screening of Nanoporous Materials for Hexane and Heptane Isomer Separation YG Chung, P Bai (equal contribution), M Haranczyk, KT Leperi, P Li, ... Chemistry of Materials 29 (15), 6315-6328, 2017 | 67 | 2017 |
| Deconstructing hydrogen-bond networks in confined nanoporous materials: implications for alcohol–water separation CH Wang, P Bai, JI Siepmann, AE Clark The Journal of Physical Chemistry C 118 (34), 19723-19732, 2014 | 66 | 2014 |
| Water 26-mers drawn from bulk simulations: Benchmark binding energies for unprecedentedly large water clusters and assessment of the electrostatically embedded three-body and … J Friedrich, H Yu, HR Leverentz, P Bai, JI Siepmann, DG Truhlar The Journal of Physical Chemistry Letters 5 (4), 666-670, 2014 | 66 | 2014 |
| Adsorption of glucose into zeolite beta from aqueous solution P Bai, JI Siepmann, MW Deem AIChE Journal 59 (9), 3523-3529, 2013 | 64 | 2013 |
| Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations M Dinpajooh, P Bai (equal contribution), DA Allan, JI Siepmann The Journal of Chemical Physics 143 (11), 114113, 2015 | 63 | 2015 |
| Innovations toward the valorization of plastics waste ZR Hinton, MR Talley, PA Kots, AV Le, T Zhang, ME Mackay, ... Annual Review of Materials Research 52 (1), 249-280, 2022 | 43 | 2022 |
| Cathodic Corrosion at the Bismuth–Ionic Liquid Electrolyte Interface under Conditions for CO2 Reduction J Medina-Ramos, W Zhang, K Yoon, P Bai, A Chemburkar, W Tang, A Atifi, ... Chemistry of Materials 30 (7), 2362-2373, 2018 | 43 | 2018 |
| A mathematical model for zeolite membrane module performance and its use for techno-economic evaluation of improved energy efficiency hybrid membrane-distillation processes for … N Mittal, P Bai, A Kelloway, JI Siepmann, P Daoutidis, M Tsapatsis Journal of Membrane Science 520, 434-449, 2016 | 37 | 2016 |
| Adsorptive separation of 1-butanol from aqueous solutions using MFI-and FER-type zeolite frameworks: a Monte Carlo study RF DeJaco, P Bai, M Tsapatsis, JI Siepmann Langmuir 32 (8), 2093-2101, 2016 | 36 | 2016 |
| Assessment and optimization of configurational-bias Monte Carlo particle swap strategies for simulations of water in the Gibbs ensemble P Bai, JI Siepmann Journal of Chemical Theory and Computation 13 (2), 431–440, 2017 | 34 | 2017 |
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
