| Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants K Shi, C Lian, Z Bai, S Zhao, H Liu Chemical Engineering Science 122, 185-196, 2015 | 87 | 2015 |
| The Young–Laplace equation for a solid–liquid interface P Montero de Hijes, K Shi, EG Noya, EE Santiso, KE Gubbins, E Sanz, ... The Journal of Chemical Physics 153 (19), 2020 | 43 | 2020 |
| Fabrication of a freestanding metal organic framework predominant hollow fiber mat and its potential applications in gas separation and catalysis Z Dai, DT Lee, K Shi, S Wang, HF Barton, J Zhu, J Yan, Q Ke, GN Parsons Journal of materials chemistry A 8 (7), 3803-3813, 2020 | 35 | 2020 |
| A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges K Shi, ER Smith, EE Santiso, KE Gubbins The Journal of Chemical Physics 158 (4), 2023 | 26 | 2023 |
| MOFX-DB: An online database of computational adsorption data for nanoporous materials NS Bobbitt, K Shi, BJ Bucior, H Chen, N Tracy-Amoroso, Z Li, Y Sun, ... Journal of Chemical & Engineering Data 68 (2), 483-498, 2023 | 26 | 2023 |
| Two-dimensional energy histograms as features for machine learning to predict adsorption in diverse nanoporous materials K Shi, Z Li, DM Anstine, D Tang, CM Colina, DS Sholl, JI Siepmann, ... Journal of Chemical Theory and Computation 19 (14), 4568-4583, 2023 | 25 | 2023 |
| Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics JD Schneible, K Shi, AT Young, S Ramesh, N He, CE Dowdey, ... Journal of materials chemistry B 8 (17), 3852-3868, 2020 | 25 | 2020 |
| Bottom-up approach to the coarse-grained surface model: Effective solid–fluid potentials for adsorption on heterogeneous surfaces K Shi, EE Santiso, KE Gubbins Langmuir 35 (17), 5975-5986, 2019 | 24 | 2019 |
| Designing intrinsically microporous polymer (pim-1) microfibers with tunable morphology and porosity via controlling solvent/nonsolvent/polymer interactions S Wang, K Shi, A Tripathi, U Chakraborty, GN Parsons, SA Khan ACS Applied Polymer Materials 2 (6), 2434-2443, 2020 | 19 | 2020 |
| Microscopic pressure tensor in cylindrical geometry: Pressure of water in a carbon nanotube K Shi, Y Shen, EE Santiso, KE Gubbins Journal of Chemical Theory and Computation 16 (9), 5548-5561, 2020 | 18 | 2020 |
| Coarse-grained simulation of polycation/DNA-like complexes: role of neutral block B Zhan, K Shi, Z Dong, W Lv, S Zhao, X Han, H Wang, H Liu Molecular Pharmaceutics 12 (8), 2834-2844, 2015 | 18 | 2015 |
| Can we define a unique microscopic pressure in inhomogeneous fluids? K Shi, EE Santiso, KE Gubbins The Journal of Chemical Physics 154 (8), 2021 | 17 | 2021 |
| Current advances in characterization of nano-porous materials: Pore size distribution and surface area K Shi, EE Santiso, KE Gubbins Porous Materials: Theory and Its Application for Environmental Remediation …, 2021 | 15 | 2021 |
| Surface-driven high-pressure processing KE Gubbins, K Gu, L Huang, Y Long, JM Mansell, EE Santiso, K Shi, ... Engineering 4 (3), 311-320, 2018 | 13 | 2018 |
| Packing density, homogeneity, and regularity: Quantitative correlations between topology and thermoresponsive morphology of PNIPAM-co-PAA microgel coatings C Cutright, Z Brotherton, L Alexander, J Harris, K Shi, S Khan, J Genzer, ... Applied Surface Science 508, 145129, 2020 | 12 | 2020 |
| Exploring the Structural, Dynamic, and Functional Properties of Metal‐Organic Frameworks through Molecular Modeling F Formalik, K Shi, F Joodaki, X Wang, RQ Snurr Advanced Functional Materials, 2308130, 2023 | 11 | 2023 |
| Reply to the ‘Comment on “Pressure enhancement in carbon nanopores: a major confinement effect”’by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22 Y Long, JC Palmer, B Coasne, K Shi, M Śliwińska-Bartkowiak, ... Physical Chemistry Chemical Physics 22 (17), 9826-9830, 2020 | 11 | 2020 |
| High-density equation of state for a two-dimensional Lennard-Jones solid K Shi, K Gu, Y Shen, D Srivastava, EE Santiso, KE Gubbins The Journal of Chemical Physics 148 (17), 2018 | 11 | 2018 |
| Water-Accelerated Transport: Vapor-Phase Nerve Agent Simulant Delivery within a Catalytic Zirconium Metal–Organic Framework as a Function of Relative Humidity R Wang, K Shi, J Liu, RQ Snurr, JT Hupp Journal of the American Chemical Society 145 (25), 13979-13988, 2023 | 9 | 2023 |
| Conformal sites theory for adsorbed films on energetically heterogeneous surfaces K Shi, EE Santiso, KE Gubbins Langmuir 36 (7), 1822-1838, 2020 | 9 | 2020 |
Erik SantisoAssociate Professor of Chemical and Biomolecular Engineering, North Carolina State University在 ncsu.edu 的电子邮件经过验证
