| Metastable liquid–liquid transition in a molecular model of water JC Palmer, F Martelli, Y Liu, R Car, AZ Panagiotopoulos, PG Debenedetti Nature 510 (7505), 385-388, 2014 | 540 | 2014 |
| Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics JC Palmer, A Llobet, SH Yeon, JE Fischer, Y Shi, Y Gogotsi, KE Gubbins Carbon 48 (4), 1116-1123, 2010 | 240 | 2010 |
| Advances in computational studies of the liquid–liquid transition in water and water-like models JC Palmer, PH Poole, F Sciortino, PG Debenedetti Chemical reviews 118 (18), 9129-9151, 2018 | 202 | 2018 |
| The role of molecular modeling in confined systems: impact and prospects KE Gubbins, YC Liu, JD Moore, JC Palmer Physical Chemistry Chemical Physics 13 (1), 58-85, 2011 | 198 | 2011 |
| Liquid-liquid transition in ST2 water Y Liu, JC Palmer, AZ Panagiotopoulos, PG Debenedetti The Journal of chemical physics 137 (21), 214505, 2012 | 194 | 2012 |
| Pressure enhancement in carbon nanopores: a major confinement effect Y Long, JC Palmer, B Coasne, M Śliwinska-Bartkowiak, KE Gubbins Physical Chemistry Chemical Physics 13 (38), 17163-17170, 2011 | 153 | 2011 |
| Finned zeolite catalysts H Dai, Y Shen, T Yang, C Lee, D Fu, A Agarwal, TT Le, M Tsapatsis, ... Nature Materials 19 (10), 1074-1080, 2020 | 151 | 2020 |
| Two-state thermodynamics of the ST2 model for supercooled water V Holten, JC Palmer, PH Poole, PG Debenedetti, MA Anisimov The Journal of chemical physics 140 (10), 104502, 2014 | 127 | 2014 |
| Detailed structural models for activated carbons from molecular simulation JC Palmer, JK Brennan, MM Hurley, A Balboa, KE Gubbins Carbon 47 (12), 2904-2913, 2009 | 111 | 2009 |
| The liquid–liquid transition in supercooled st2 water: a comparison between umbrella sampling and well-tempered metadynamics JC Palmer, R Car, PG Debenedetti Faraday discussions 167, 77-94, 2013 | 109 | 2013 |
| Atomistic models for disordered nanoporous carbons using reactive force fields JC Palmer, KE Gubbins Microporous and mesoporous materials 154, 24-37, 2012 | 102 | 2012 |
| Adsorptive behavior of CO 2, CH 4 and their mixtures in carbon nanospace: a molecular simulation study JC Palmer, JD Moore, TJ Roussel, JK Brennan, KE Gubbins Physical Chemistry Chemical Physics 13 (9), 3985-3996, 2011 | 82 | 2011 |
| On the molecular origin of high-pressure effects in nanoconfinement: The role of surface chemistry and roughness Y Long, JC Palmer, B Coasne, M Śliwinska-Bartkowiak, G Jackson, ... The Journal of chemical physics 139 (14), 144701, 2013 | 78 | 2013 |
| Comment on “The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water”[I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138 … JC Palmer, A Haji-Akbari, RS Singh, F Martelli, R Car, ... The Journal of Chemical Physics 148 (13), 137101, 2018 | 73 | 2018 |
| Cooperative effects of inorganic and organic structure-directing agents in ZSM-5 crystallization A Chawla, R Li, R Jain, RJ Clark, JG Sutjianto, JC Palmer, JD Rimer Molecular Systems Design & Engineering 3 (1), 159-170, 2018 | 68 | 2018 |
| Recent advances in molecular simulation: A chemical engineering perspective JC Palmer, PG Debenedetti AIChE Journal 61 (2), 370-383, 2015 | 68 | 2015 |
| Under pressure: Quasi-high pressure effects in nanopores Y Long, JC Palmer, B Coasne, M Śliwinska-Bartkowiak, KE Gubbins Microporous and mesoporous materials 154, 19-23, 2012 | 64 | 2012 |
| High pressure effect in nanoporous carbon materials: effects of pore geometry Y Long, M Śliwińska-Bartkowiak, H Drozdowski, M Kempiński, KA Phillips, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 437, 33-41, 2013 | 60 | 2013 |
| Computational investigation of cold denaturation in the Trp-cage miniprotein SB Kim, JC Palmer, PG Debenedetti Proceedings of the National Academy of Sciences 113 (32), 8991-8996, 2016 | 58 | 2016 |
| Adsorption and diffusion of argon confined in ordered and disordered microporous carbons JD Moore, JC Palmer, YC Liu, TJ Roussel, JK Brennan, KE Gubbins Applied Surface Science 256 (17), 5131-5136, 2010 | 57 | 2010 |
Keith GubbinsProfessor of Chemical & Biomolecular Engineering, North Carolina State UniversityVerified email at ncsu.edu
