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K

Keith E. Gubbins

North Carolina State University

93H-index
557Paper Count
4.3WCitation Count
Published Papers 116
Publication Date
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A perspective on characterization of porous materials: the melting line and triple point
errADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
IF3.1
err2025-04-01
err0
errOAAI
errAn, Rong; Le, Renxi; Gubbins, Keith E.; Sliwinska-Bartkowiak, Malgorzata; Thommes, Matthias
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The Nanoscale Wetting Parameter and Its Role in Interfacial Phenomena: Phase Transitions in Nanopores
errLANGMUIR
IF3.9
err2023-12-14
err5
PREAI
errAn, Rong; Addington, Cody K.; Long, Yun; Rotnicki, Konrad; Sliwinska-Bartkowiak, Malgorzata; Thommes, Matthias; Gubbins, Keith E.
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A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-30
err35
errOAAI
errShi, Kaihang; Smith, Edward R.; Santiso, Erik E.; Gubbins, Keith E.
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errSave
Can we define a unique microscopic pressure in inhomogeneous fluids?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-22
err18
errOAAI
errShi, Kaihang; Santiso, Erik E.; Gubbins, Keith E.
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The Young-Laplace equation for a solid-liquid interface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-11-19
err48
errOAAI
errMontero de Hijes, P.; Shi, K.; Noya, E. G.; Santiso, E. E.; Gubbins, K. E.; Sanz, E.; Vega, C.
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Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-27
err15
PREAI
errShi, Kaihang; Shen, Yifan; Santiso, Erik E.; Gubbins, Keith E.
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Enhancing Gas Solubility in Nanopores: A Combined Study Using Classical Density Functional Theory and Machine Learning
errLANGMUIR
IF3.9
err2020-07-06
err25
PREAI
errQiao, Chongzhi; Yu, Xiaochen; Song, Xianyu; Zhao, Teng; Xu, Xiaofei; Zhao, Shuangliang; Gubbins, Keith E.
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Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces
errLANGMUIR
IF3.9
err2020-01-27
err9
PREAI
errShi, Kaihang; Santiso, Erik E.; Gubbins, Keith E.
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errSave
Bottom-Up Approach to the Coarse-Grained Surface Model: Effective Solid-Fluid Potentials for Adsorption on Heterogeneous Surfaces
errLANGMUIR
IF3.9
err2019-04-08
err21
PREAI
errShi, Kaihang; Santiso, Erik E.; Gubbins, Keith E.
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The pressure in interfaces having cylindrical geometry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-08-28
err10
PREAI
errAddington, Cody K.; Long, Yun; Gubbins, Keith E.
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errSave
Surface-Driven High-Pressure Processing
errENGINEERING
IF11.6
err2018-06-01
err12
errOAAI
errGubbins, Keith E.; Gu, Kai; Huang, Liangliang; Long, Yun; Mansell, J. Matthew; Santiso, Erik E.; Shi, Kaihang; Sliwinska-Bartkowiak, Malgorzata; Srivastava, Deepti
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High-density equation of state for a two-dimensional Lennard-Jones solid
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-05-07
err11
PREAI
errShi, Kaihang; Gu, Kai; Shen, Yifan; Srivastava, Deepti; Santiso, Erik E.; Gubbins, Keith E.
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errSave
Pressure Enhancement in Confined Fluids: Effect of Molecular Shape and Fluid-Wall Interactions
errLANGMUIR
IF3.9
err2017-10-04
err35
PREAI
errSrivastava, Deepti; Santiso, Erik E.; Gubbins, Keith E.
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errSave
Computationally Mapping pKa Shifts Due to the Presence of a Polyelectrolyte Chain around Whey Proteins
errLANGMUIR
IF3.9
err2017-09-15
err31
PREAI
errSrivastava, Deepti; Santiso, Erik; Gubbins, Keith; Barroso da Silva, Fernando Luis
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errSave
Molecular Modeling and Adsorption Properties of Ordered Silica-Templated CMK Mesoporous Carbons
errLANGMUIR
IF3.9
err2017-02-20
err16
PREAI
errJain, Surendra Kumar; Pellenq, Roland J. -M.; Gubbins, Keith E.; Peng, Xuan
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Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-05-17
err6
errOAAI
errCattes, Stefanie M.; Gubbins, Keith E.; Schoen, Martin
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errSave
Liquid-Solid Nanofriction and Interfacial Wetting
errLANGMUIR
IF3.9
err2016-01-13
err44
PREAI
errAn, Rong; Huang, Liangliang; Long, Yun; Kalanyan, Berc; Lu, Xiaohua; Gubbins, Keith E.
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errSave
Water on Titanium Dioxide Surface: A Revisiting by Reactive Molecular Dynamics Simulations
errLANGMUIR
IF3.9
err2014-12-03
err72
PREAI
errHuang, Liangliang; Gubbins, Keith E.; Li, Licheng; Lu, Xiaohua
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Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-11-21
err21
PREAI
errHuang, Liangliang; Seredych, Mykola; Bandosz, Teresa J.; van Duin, Adri C. T.; Lu, Xiaohua; Gubbins, Keith E.
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On the molecular origin of high-pressure effects in nanoconfinement: The role of surface chemistry and roughness
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-10-10
err72
errOAAI
errLong, Yun; Palmer, Jeremy C.; Coasne, Benoit; Sliwinska-Bartkowiak, Malgorzata; Jackson, George; Mueller, Erich A.; Gubbins, Keith E.
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Research Directions

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Co-authors
Cooperation Journals
A
Adri C. T. van Duin
H-index: 114 · Papers: 818
S
Shaoyi Jiang
H-index: 96 · Papers: 294
T
Teresa J. Bandosz
H-index: 93 · Papers: 498
K
Katsumi Kaneko
H-index: 86 · Papers: 719
P
Philip L. Llewellyn
H-index: 81 · Papers: 392
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