Randall T. Cygan - Publications, H-index & Citations

Randall T. Cygan

texas a&m university

52H指数

244论文数

1.1W被引数

收录论文 38

发表时间

Probing structural changes of sepiolite and zeolitic water dynamics with temperature-dependent infrared spectroscopy and molecular simulations 利用温度依赖性红外光谱和分子模拟探究海泡石的结构变化及沸石水的动态特性

Applied Clay Science

IF5.8

2026-05-29

PREAI

Bidemi T. Fashina; Randall T. Cygan; Md Wasek Foysal; Youjun Deng

Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces 层状和纳米多孔材料及其水相界面的Clayff分子模拟研究进展

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-07-22

175

OAAI

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

Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal-O-H Angle Bending Terms 水合高岭石边缘表面的结构: DFT结果和具有金属-o-h角弯曲项的ClayFF经典力场的进一步发展

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-03-18

OAAI

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

Modeling the Polymerization Process for Geopolymer Synthesis through Reactive Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-03-05

PREAI

Zhang, Mo; Deskins, N. Aaron; Zhang, Guoping; Cygan, Randall T.; Tao, Mingjiang

Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-10-05

OAAI

Zeitler, T. R.; Greathouse, J. A.; Cygan, R. T.; Fredrich, J. T.; Jerauld, G. R.

Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-09-28

PREAI

Greathouse, J. A.; Cygan, R. T.; Fredrich, J. T.; Jerauld, G. R.

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 水合三水铝石和水蛭石边缘表面的结构: DFT结果和具有金属-o-h角弯曲项的ClayFF经典力场的进一步发展

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-06-28

101

OAAI

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

Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-01-20

OAAI

Greathouse, J. A.; Cygan, R. T.; Fredrich, J. T.; Jerauld, G. R.

Inelastic Neutron Scattering and Molecular Simulation of the Dynamics of Inter layer Water in Smectite Clay Minerals

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-12-02

OAAI

Cygan, Randall T.; Daemen, Luke L.; Ilgen, Anastasia G.; Krumhansl, James L.; Nenoff, Tina M.

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

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-08-27

203

OAAI

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

Molecular Simulation of Structure and Diffusion at Smectite-Water Interfaces: Using Expanded Clay Interlayers as Model Nanopores

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-07-20

OAAI

Greathouse, Jeffery A.; Hart, David B.; Bowers, Geoffrey M.; Kirkpatrick, R. James; Cygan, Randall T.

Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-06-27

OAAI

Altman, Susan J.; Aminzadeh, Behdad; Balhoff, Matthew T.; Bennett, Philip C.; Bryant, Steven L.; Cardenas, M. Bayani; Chaudhary, Kuldeep; Cygan, Randall T.; Deng, Wen; Dewers, Thomas; DiCarlo, David A.; Eichhubl, Peter; Hesse, Marc A.; Huh, Chun; Matteo, Edward N.; Mehmani, Yashar; Tenney, Craig M.; Yoon, Hongkyu

Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2014-04-08

OAAI

Zeitler, Todd R.; Greathouse, Jeffery A.; Gale, Julian D.; Cygan, Randall T.

Molecular Simulation of Carbon Dioxide, Brine, and Clay Mineral Interactions and Determination of Contact Angles 二氧化碳，盐水和粘土矿物相互作用的分子模拟和接触角的确定

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2014-01-15

133

PREAI