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Greathouse, Jeffery A.
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1

Structural and Spectroscopic Properties of Butanediol-Modif..:

Greathouse, Jeffery A. ; Weck, Philippe F. ; Bell, Nelson S...
The Journal of Physical Chemistry C.  128 (2024)  8 - p. 3533-3542 , 2024
Link: https://doi.org/10.1021/..
 
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2

Molecular Dynamics Simulation of Pore-Size Effects on Gas A..:

Greathouse, Jeffery A. ; Paul, Matthew J. ; Xu, Guangping.
Clays and Clay Minerals.  71 (2023)  1 - p. 54-73 , 2023
Link: https://doi.org/10.1007/..
 
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3

Adsorption at Nanoconfined Solid–Water Interfaces:

Ilgen, Anastasia G. ; Leung, Kevin ; Criscenti, Louise J..
Annual Review of Physical Chemistry.  74 (2023)  1 - p. 169-191 , 2023
Link: https://doi.org/10.1146/..
 
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4

Ab Initio-Derived Force Field for Amorphous Silica Interfac..:

Senanayake, Hasini S. ; Wimalasiri, Pubudu N. ; Godahewa, Sahan M...
The Journal of Physical Chemistry C.  127 (2023)  33 - p. 16567-16578 , 2023
Link: https://doi.org/10.1021/..
 
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5

Structure and energetics of hydrogen bonding networks in di..:

Ilgen, Anastasia G. ; Senanayake, Hasini S. ; Thompson, Ward H..
Environmental Science: Nano.  10 (2023)  11 - p. 3025-3038 , 2023
Link: https://doi.org/10.1039/..
 
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6

Machine learning predictions of diffusion in bulk and confi..:

Bobbitt, N. Scott ; Allers, Joshua P. ; Harvey, Jacob A....
Molecular Systems Design & Engineering.  8 (2023)  10 - p. 1257-1274 , 2023
Link: https://doi.org/10.1039/..
 
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7

Machine Learning Predictions of Simulated Self-Diffusion Co..:

Leverant, Calen J. ; Greathouse, Jeffery A. ; Harvey, Jacob A..
Journal of Chemical Theory and Computation.  19 (2023)  11 - p. 3054-3062 , 2023
Link: https://doi.org/10.1021/..
 
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8

Molecular Dynamics Simulation and Cryo-Electron Microscopy ..:

Long, Daniel M. ; Greathouse, Jeffery A. ; Xu, Guangping.
Minerals.  12 (2022)  4 - p. 479 , 2022
Link: https://doi.org/10.3390/..
 
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9

Ab initio molecular dynamics free energy study of enhanced ..:

Leung, Kevin ; Greathouse, Jeffery A.
Communications Chemistry.  5 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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10

Probing electrolyte–silica interactions through simulations..:

Senanayake, Hasini S. ; Greathouse, Jeffery A. ; Thompson, Ward H.
The Journal of Chemical Physics.  157 (2022)  3 - p. , 2022
Link: https://doi.org/10.1063/..
 
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11

Quantum Calculations of VX Ammonolysis and Hydrolysis Pathw..:

Leverant, Calen J. ; Priest, Chad W. ; Greathouse, Jeffery A...
International Journal of Molecular Sciences.  22 (2021)  16 - p. 8653 , 2021
Link: https://doi.org/10.3390/..
 
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12

Machine Learning Self-Diffusion Prediction for Lennard-Jone..:

Leverant, Calen J. ; Harvey, Jacob A. ; Alam, Todd M..
The Journal of Physical Chemistry C.  125 (2021)  46 - p. 25898-25906 , 2021
Link: https://doi.org/10.1021/..
 
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13

Advances in Clayff Molecular Simulation of Layered and Nano..:

Cygan, Randall T. ; Greathouse, Jeffery A. ; Kalinichev, Andrey G.
The Journal of Physical Chemistry C.  125 (2021)  32 - p. 17573-17589 , 2021
Link: https://doi.org/10.1021/..
 
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14

Effects of nanoconfinement and surface charge on iron adsor..:

Greathouse, Jeffery A. ; Duncan, Tyler J. ; Ilgen, Anastasia G....
Environmental Science: Nano.  8 (2021)  7 - p. 1992-2005 , 2021
Link: https://doi.org/10.1039/..
 
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15

Using Computationally-Determined Properties for Machine Lea..:

Allers, Joshua P. ; Priest, Chad W. ; Greathouse, Jeffery A..
The Journal of Physical Chemistry B.  125 (2021)  47 - p. 12990-13002 , 2021
Link: https://doi.org/10.1021/..
 
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