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Chemistry

D-Index
54
Citations
11801
World Ranking
12520
National Ranking
3333

Overview

Randall T. Cygan is affiliated with Sandia National Laboratories in the United States. Their research primarily focuses on energy, with specific interest in renewable energy, sustainability, and the environment. They have contributed to fields including biomedical engineering, materials chemistry, geochemistry and petrology, and inorganic chemistry.

The core topics of Cygan's work span several areas of chemistry and environmental science. These include iron oxide chemistry and applications, surface chemistry and catalysis, mesoporous materials and catalysis, geochemistry and elemental analysis, radioactive element chemistry and processing, clay minerals and soil interactions, and soil and unsaturated flow.

Cygan has collaborated with several frequent coauthors, including:

  • Jeffery A. Greathouse
  • Andrey G. Kalinichev
  • Jose Bañuelos
  • Eric Borguet
  • Gordon E. Brown

Their contributions have been published in a variety of scientific journals. Notable venues include:

  • The Journal of Physical Chemistry C
  • Chemical Reviews
  • Physical Chemistry Chemical Physics
  • Elements

Representative recent papers authored or coauthored by Cygan are as follows:

  • Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces, 2021, The Journal of Physical Chemistry C
  • Oxide- and Silicate-Water Interfaces and Their Roles in Technology and the Environment, 2023, Chemical Reviews
  • Insights on adsorption of pyocyanin in montmorillonite using molecular dynamics simulation, 2024, Physical Chemistry Chemical Physics
  • The Clay Minerals Society, 2022, Elements

Best Publications

  • Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

    Randall T. Cygan;Jian-Jie Liang,†,‡ and;Andrey G. Kalinichev

  • Molecular Controls on Kaolinite Surface Charge

    Patrick V. Brady;Randall T. Cygan;Kathryn L. Nagy

  • Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field

    Randall T. Cygan;Vyacheslav N. Romanov;Evgeniy M. Myshakin

  • Molecular models and simulations of layered materials

    Randall T. Cygan;Jeffery A. Greathouse;Hendrik Heinz;Andrey G. Kalinichev

  • Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces

    Randall T. Cygan;Jeffery A. Greathouse;Andrey G. Kalinichev

  • Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation

    Jianwei Wang;Andrey G. Kalinichev;R. James Kirkpatrick;Randall T. Cygan

  • Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

    Stephanie L. Teich-McGoldrick;Jeffery A. Greathouse;Carlos F. Jove-Colon;Randall Timothy Cygan

  • Molecular Dynamics Modeling of Ion Adsorption to the Basal Surfaces of Kaolinite

    Igor F. Vasconcelos;Bruce A. Bunker;Randall T. Cygan

  • Self-diffusion of magnesium in garnet at 750 degrees to 900 degrees C

    Randall Timothy Cygan;Antonio C. Lasaga

  • Molecular simulation of carbon dioxide, brine, and clay mineral interactions and determination of contact angles.

    Craig M. Tenney;Randall T. Cygan

  • Molecular dynamics simulation of uranyl(VI) adsorption equilibria onto an external montmorillonite surface.

    Jeffery A. Greathouse;Randall T. Cygan

  • Water structure and aqueous uranyl(VI) adsorption equilibria onto external surfaces of beidellite, montmorillonite, and pyrophyllite: results from molecular simulations.

    Jeffery A Greathouse;Randall T Cygan

  • Ab Initio Determination of Edge Surface Structures for Dioctahedral 2:1 Phyllosilicates: Implications for Acid-Base Reactivity

    Barry R. Bickmore;Kevin M. Rosso;Kathryn L. Nagy;Randall T. Cygan

  • 133Cs NMR study of cesium on the surfaces of kaolinite and illite

    Yeongkyoo Kim;R. James Kirkpatrick;Randall T. Cygan

  • 133Cs NMR and XPS investigation of cesium adsorbed on clay minerals and related phases

    Yeongkyoo Kim;Randall T. Cygan;R. James Kirkpatrick

  • Molecular Models for the Intercalation of Methane Hydrate Complexes in Montmorillonite Clay

    Randall T. Cygan;Stephen Guggenheim;August F. Koster Van Groos

  • Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite

    Evgeniy M. Myshakin;Wissam A. Saidi;Vyacheslav N. Romanov;Randall T. Cygan

  • Molecular Modeling in Mineralogy and Geochemistry

    Randall T. Cygan

  • A shell model for the simulation of rhombohedral carbonate minerals and their point defects

    Diana K. Fisler;Julian D. Gale;Randall T. Cygan

  • 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

    Maxime Pouvreau;Maxime Pouvreau;Jeffery A. Greathouse;Randall T. Cygan;Andrey G. Kalinichev

  • The dissolution kinetics of mixed-cation orthosilicate minerals

    H. R. Westrich;R. T. Cygan;W. H. Casey;C. Zemitis

Frequent Co-Authors

Jeffery A. Greathouse
Jeffery A. Greathouse Sandia National Laboratories
Kathryn L. Nagy
Kathryn L. Nagy University of Illinois at Chicago
R. James Kirkpatrick
R. James Kirkpatrick Michigan State University
Ben Slater
Ben Slater University College London
C. Jeffrey Brinker
C. Jeffrey Brinker University of New Mexico
Julian D. Gale
Julian D. Gale Curtin University
Todd M. Alam
Todd M. Alam Sandia National Laboratories
James D. Kubicki
James D. Kubicki The University of Texas at El Paso
François Bonhomme
François Bonhomme University of Montpellier
Mark A. Rodriguez
Mark A. Rodriguez Sandia National Laboratories

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