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R. Cygan · SciRah

Researcher profile · Semantic Scholar

R. Cygan

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R. Cygan — researcher profile on SciRah

h-index: 47
Works: 225
Citations: 9,404

Most-cited papers

Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field
R. Cygan, V. Romanov, E. Myshakin
2012329 citations
Semantic Scholar
Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces
R. Cygan, J. Greathouse, A. Kalinichev
2021Journal of Physical Chemistry C327 citations
Semantic Scholar
Molecular models and simulations of layered materials
R. Cygan, J. Greathouse, Hendrik Heinz, A. Kalinichev
2009268 citations
Semantic Scholar
Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects
S. Teich-McGoldrick, J. Greathouse, C. Jove-Colon, R. Cygan
2015240 citations Open access
Semantic Scholar
Oxide- and Silicate-Water Interfaces and Their Roles in Technology and the Environment.
J. Bañuelos, E. Borguet, Gordon E. Brown, R. Cygan +19 more
2023Chemical Reviews189 citations
Semantic Scholar
Molecular simulation of carbon dioxide, brine, and clay mineral interactions and determination of contact angles.
C. Tenney, R. Cygan
2014Environmental Science and Technology171 citations
Semantic Scholar
Structure of Hydrated Gibbsite and Brucite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms
M. Pouvreau, J. Greathouse, R. Cygan, A. Kalinichev
2017122 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite
E. Myshakin, W. Saidi, V. Romanov, R. Cygan +1 more
2013116 citations
Semantic Scholar
Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms
M. Pouvreau, J. Greathouse, R. Cygan, A. Kalinichev
2019Journal of Physical Chemistry C108 citations Open access
Semantic Scholar
Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage
S. J. Altman, B. Aminzadeh, M. Balhoff, P. C. Bennett +14 more
2014107 citations Open access
Semantic Scholar
Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers
J. Greathouse, R. Cygan, J. Fredrich, G. Jerauld
2016101 citations Open access
Semantic Scholar
Molecular models of a hydrated calcite mineral surface
Thomas D. Perry, R. Cygan, R. Mitchell
200790 citations
Semantic Scholar
Modeling the Polymerization Process for Geopolymer Synthesis through Reactive Molecular Dynamics Simulations
Mo Zhang, N. Deskins, Guo-Ping Zhang, R. Cygan +1 more
201889 citations
Semantic Scholar
Analysis of Molecular Clusters in Simulations of Lithium-Ion Battery Electrolytes
C. Tenney, R. Cygan
201375 citations
Semantic Scholar
Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects
J. Greathouse, R. Cygan, J. Fredrich, G. Jerauld
201774 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of Structural and Mechanical Properties of Muscovite: Pressure and Temperature Effects
S. Teich-McGoldrick, J. Greathouse, R. Cygan
201273 citations
Semantic Scholar
Nanoconfined water in magnesium-rich 2:1 phyllosilicates.
N. W. Ockwig, J. Greathouse, Justin S Durkin, R. Cygan +2 more
2009Journal of the American Chemical Society64 citations Open access
Semantic Scholar
Implementation of a Morse potential to model hydroxyl behavior in phyllosilicates.
J. Greathouse, Justin S Durkin, J. Larentzos, R. Cygan
2009Journal of Chemical Physics61 citations
Semantic Scholar
Molecular simulations of carbon dioxide and water: cation solvation.
L. Criscenti, J. Bracco, R. Cygan
2010Environmental Science and Technology53 citations
Semantic Scholar
Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure
T. Zeitler, J. Greathouse, R. Cygan, J. Fredrich +1 more
201748 citations Open access
Semantic Scholar
Inelastic Neutron Scattering and Molecular Simulation of the Dynamics of Interlayer Water in Smectite Clay Minerals
R. Cygan, L. Daemen, A. Ilgen, J. Krumhansl +1 more
201548 citations
Semantic Scholar
Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis
A. Ilgen, R. Cygan
201447 citations Open access
Semantic Scholar
Methylene Blue Adsorption on the Basal Surfaces of Kaolinite: Structure and Thermodynamics from Quantum and Classical Molecular Simulation
J. Greathouse, Dawn Geatches, D. Pike, H. Greenwell +3 more
2015Clays and clay minerals46 citations
Semantic Scholar
Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces
T. Zeitler, J. Greathouse, J. Gale, R. Cygan
2014The journal of physical chemistry. C, Nanomaterials and interfaces45 citations Open access
Semantic Scholar
Molecular models of birnessite and related hydrated layered minerals
R. Cygan, J. Post, P. Heaney, J. Kubicki
201244 citations
Semantic Scholar
Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite
S. Teich-McGoldrick, J. Greathouse, R. Cygan
201441 citations Open access
Semantic Scholar
Molecular dynamics studies of nanoconfined water in clinoptilolite and heulandite zeolites.
N. W. Ockwig, R. Cygan, L. Criscenti, T. Nenoff
2008Physical Chemistry, Chemical Physics - PCCP40 citations
Semantic Scholar
Interactions of Kaolin Minerals in the Environment
R. Cygan, K. Tazaki
201439 citations
Semantic Scholar
Evaluation of the elasticity normal to the basal plane of non-expandable 2:1 phyllosilicate minerals by nanoindentation
Guo-Ping Zhang, Zhong-Xin Wei, R. Ferrell, S. Guggenheim +2 more
201036 citations
Semantic Scholar
Incoherent Inelastic Neutron Scattering Studies of Nanoconfined Water in Clinoptilolite and Heulandite Zeolites
N. W. Ockwig, R. Cygan, M. Hartl, L. Daemen +1 more
200834 citations
Semantic Scholar
Water and Halide Adsorption to Corrosion Surfaces : Molecular Simulations of Atmospheric Interactions with Aluminum Oxyhydroxide and Gold
L. Criscenti, R. Cygan, A. Kooser, H. Moffat
200833 citations
Semantic Scholar
Experimental and simulation study of carbon dioxide, brine, and muscovite surface interactions
C. Tenney, T. Dewers, Kuldeep Chaudhary, E. Matteo +2 more
201722 citations Open access
Semantic Scholar
Introduction to a Special Issue on Molecular Computer Simulations of Clays and Clay-Water Interfaces: Recent Progress, Challenges, and Opportunities
A. Kalinichev, Xian-Dong Liu, R. Cygan
2016Clays and clay minerals17 citations Open access
Semantic Scholar
Effects of thermodynamic ensembles and mineral surfaces on interfacial water structure.
T. Zeitler, J. Greathouse, R. Cygan
2012Physical Chemistry, Chemical Physics - PCCP16 citations
Semantic Scholar
Role of Water in the Ion Selectivity of Niobate-Based Octahedral Molecular Sieves
T. Nenoff, N. W. Ockwig, R. Cygan, T. Alam +5 more
200715 citations
Semantic Scholar
Make This World a Better Place
S. Bryant, Tara R Camacho-Lopez, C. Tenney, Hongkyu Toon +2 more
2013The Principal’s Graduation14 citations
Semantic Scholar
Molecular Simulation of Clay Minerals
J. Greathouse, R. Cygan
201314 citations
Semantic Scholar
A Molecular Basis for Advanced Materials in Water Treatment
R. Cygan, C. Brinker, M. Nyman, K. Leung +1 more
200714 citations
Semantic Scholar
Computational and Spectroscopic Studies of Dichlorofluoroethane Hydrate Structure and Stability
J. Greathouse, R. Cygan, R. Bradshaw, E. Majzoub +1 more
200712 citations
Semantic Scholar
Desalination Utilizing Clathrate Hydrates (LDRD Final Report)
Blake A. Simmons, Robert W. Bradshaw, D. Dedrick, R. Cygan +2 more
200811 citations Open access
Semantic Scholar
Natural materials for carbon capture.
E. Myshakin, V. Romanov, R. Cygan
20109 citations Open access
Semantic Scholar
Ab Initio Study of Hydrogen Storage in Water Clathrates
Jacalyn S. Clawson, R. Cygan, T. Alam, K. Leung +1 more
20109 citations
Semantic Scholar
Insights on adsorption of pyocyanin in montmorillonite using molecular dynamics simulation.
Bidemi T. Fashina, You-Jun Deng, T. Çagin, R. Cygan
2024Physical Chemistry, Chemical Physics - PCCP5 citations Open access
Semantic Scholar
Modeling Thermal Abuse in Transportation Batteries
R. Muller, R. Cygan, Jie Deng, A. Frischknecht +7 more
20125 citations Open access
Semantic Scholar
Nanotechnology applications to desalination : a report for the joint water reuse & desalination task force.
P. Brady, T. Mayer, R. Cygan
20115 citations Open access
Semantic Scholar
Advances in Molecular Simulation Studies of Clay Minerals
R. Cygan, E. Myshakin
20183 citations
Semantic Scholar
Monte Carlo and Molecular Dynamics Simulations of Clay Mineral Systems
E. Myshakin, R. Cygan
20183 citations
Semantic Scholar
CO2 interaction with geomaterials.
G. Guthrie, W. Al-Saidi, K. Jordan, Vamsee K. Voora +8 more
20103 citations
Semantic Scholar
Exploring the Role of Phosphate Structural Distortions on the Sodium Jump Dynamics in NASICON Phases.
T. Alam, N. Bell, J. S. Wheeler, E. Spoerke +2 more
20152 citations
Semantic Scholar
Molecular Simulation Models of Carbon Dioxide Intercalation in Hydrated Sodium Montmorillonite
E. Myshakin, W. Saidi, V. Romanov, R. Cygan +2 more
20161 citations Open access
Semantic Scholar

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