Jeffery Greathouse

Kevin Leung, Jeffery Greathouse, (2022). Ab initio molecular dynamics free energy study of enhanced copper (II) dimerization on mineral surfaces Communications Chemistry https://doi.org/10.1038/s42004-022-00688-2 Publication ID: 80890

Matthew Paul, David Fukuyama, Rosemary Leone, Michael Nole, Jeffery Greathouse, (2022). Tracer Gas Model Development and Verification in PFLOTRAN https://doi.org/10.2172/1889337 Publication ID: 80252

Hasini Senanayake, Jeffery Greathouse, Ward Thompson, (2022). Probing electrolyte–silica interactions through simulations of the infrared spectroscopy of nanoscale pores Journal of Chemical Physics https://doi.org/10.1063/5.0100583 Publication ID: 80940

Daniel Long, Jeffery Greathouse, Guangping Xu, Katherine Jungjohann, (2022). Molecular Dynamics Simulation and Cryo-Electron Microscopy Investigation of AOT Surfactant Structure at the Hydrated Mica Surface Minerals https://doi.org/10.3390/min12040479 Publication ID: 80701

Joshua Allers, Chad Priest, Jeffery Greathouse, Todd Alam, (2021). Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids Journal of Physical Chemistry B https://doi.org/10.1021/acs.jpcb.1c07092 Publication ID: 76921

Todd Zeitler, Jeffery Greathouse, (2021). Subsurface Gas Transport Benchmark for PFLOTRAN Code https://doi.org/10.2172/1908758 Publication ID: 77038

Matthew Paul, Michael Nole, Rosemary Leone, David Fukuyama, Jeffery Greathouse, (2021). Modeling Tracer Gas Adsorption and Transportin the Vadose Zone with PFLOTRAN https://doi.org/10.2172/1902842 Publication ID: 77041

Calen Leverant, Jacob Harvey, Todd Alam, Jeffery Greathouse, (2021). Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.1c08297 Publication ID: 76837

Mark Kinnan, Patrick Burton, Jeffery Greathouse, Chad Priest, Calen Leverant, Thomas Fisher, Susan Rempe, Todd Alam, David McGarvey, Bill Creasy, (2021). CB10412: Bulk CWA Destruction https://doi.org/10.2172/1835015 Publication ID: 77098

Randall Cygan, Jeffery Greathouse, Andrey Kalinichev, (2021). Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.1c04600 Publication ID: 79328

Jeffery Greathouse, (2021). Diffusion Properties of Aqueous Fluids in Mineral Nanopores https://doi.org/10.2172/1882463 Publication ID: 75259

Jeffery Greathouse, Tyler Duncan, Anastasia Ilgen, Jacob Harvey, Louise Criscenti, Andrew Knight, (2021). Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica Environmental Science: Nano https://doi.org/10.1039/d1en00066g Publication ID: 78696

Calen Leverant, Todd Alam, Jacob Harvey, Jeffery Greathouse, (2021). Machine Learning Prediction of Lennard-Jones Fluid Self-Diffusion in Pores https://doi.org/10.1021/acs.jpcc.1c08297 Publication ID: 79514

Derrick Poe, Jeffery Greathouse, Todd Alam, (2021). Developing a Dataset of Confined Ionic Liquid Properties for Machine Learning Applications https://doi.org/10.2172/1888669 Publication ID: 79327

Jeffery Greathouse, Daniel Long, Guangping Xu, Katherine Jungjohann, (2021). Molecular Dynamics Simulation of Surfactant Partitioning at Aqueous Mica Interfaces https://doi.org/10.2172/1861980 Publication ID: 77922

Hasini Senanayake, Jeffery Greathouse, Anastasia Ilgen, Ward Thompson, (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores https://doi.org/10.2172/1877812 Publication ID: 78043

Hasini Senanayake, Jeffery Greathouse, Anastasia Ilgen, Ward Thompson, (2021). Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores Journal of Chemical Physics https://doi.org/10.1063/5.0040739 Publication ID: 77445

Jeffery Greathouse, (2021). Prediction of MD Simulated Self-Diffusion Coefficients in a Diverse Set of Pure Liquids https://doi.org/10.2172/1856479 Publication ID: 77730

Jeffery Greathouse, (2021). Predicting Gas Transport in the Subsurface https://www.osti.gov/servlets/purl/1841819 Publication ID: 75100

Louise Criscenti, Jeffery Greathouse, Tuan Ho, (2020). Simulations of Gibbsite Nanoparticles and Aggregates https://doi.org/10.2172/1826981 Publication ID: 71322

Daniel Long, John Watt, Scott McClary, Nathan Hahn, Kevin Zavadil, Katherine Jungjohann, Guangping Xu, Hongkyu Yoon, Jeffery Greathouse, (2020). Cryo-FIB and cryo-TEM at CINT: Imaging solid/liquid interfaces battery interphases and beam sensitive materials https://www.osti.gov/servlets/purl/1822628 Publication ID: 70970

Jeffery Greathouse, Daniel Long, Guangping Xu, Hongkyu Yoon, Katherine Jungjohann, (2020). Molecular-Scale Studies of Surfactant Partitioning on Muscovite Surfaces https://doi.org/10.2172/1824261 Publication ID: 71078

Calen Leverant, Jacob Harvey, Joshua Allers, Jeffery Greathouse, Todd Alam, (2020). Machine Learning Based Upscaling of Finite-Box Size Molecular Dynamics Diffusion Simulations https://www.osti.gov/servlets/purl/1814581 Publication ID: 74603

Joseph Sinclair, Jeffery Greathouse, (2020). Use of Computational Methods to Aid in Transport Modeling https://www.osti.gov/servlets/purl/1812990 Publication ID: 74447

Rafael González, Javier Rojas-Nunez, Felipe Valencia, Francisco Munoz, Samuel Baltazar, Sebastián Allende, José Rogan, Juan Valdivia, Miguel Kiwi, Ricardo Ramírez, Jeffery Greathouse, (2020). Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics Applied Clay Science https://doi.org/10.1016/j.clay.2020.105582 Publication ID: 73169

Jeffery Greathouse, (2020). Molecular Simulations of Complex Fluid Interactions with Clay Mineral Surfaces https://www.osti.gov/servlets/purl/1807397 Publication ID: 73748

Todd Zeitler, Kristopher Kuhlman, Jeffery Greathouse, (2020). Parameter Sensitivity in Subsurface Gas Transport Calculations https://www.osti.gov/servlets/purl/1787447 Publication ID: 73635

Guangping Xu, Jeffery Greathouse, (2020). Effects of Mineral Adsorption on Subsurface Gas Transport https://doi.org/10.46427/gold2020.2938 Publication ID: 73636

Daniel Long, Guangping Xu, Hongkyu Yoon, Jeffery Greathouse, Katherine Jungjohann, (2020). Chemistry and Structure of AOT Surfactants on Mica Investigated with Cryogenic Electron Microscopy and Molecular Dynamics https://doi.org/10.46427/gold2020.1632 Publication ID: 73648

Jeffery Greathouse, Philippe Weck, Margaret Gordon, Eunja Kim, Charles Bryan, (2020). Molecular dynamics simulation of zirconium tungstate amorphization and the amorphous-crystalline interface Journal of Physics Condensed Matter https://doi.org/10.1088/1361-648X/ab5377 Publication ID: 66305

Jeffery Greathouse, (2020). Predicting Gas Transport in the Subsurface https://www.osti.gov/servlets/purl/1762586 Publication ID: 70826

Chad Priest, Mark Kinnan, David McGarvey, Todd Alam, Patrick Burton, Bill Creasy, Jeffery Greathouse, Susan Rempe, (2019). Tactical Disablement of Neat Chemical Weapons https://www.osti.gov/servlets/purl/1643287 Publication ID: 66319

Jacob Harvey, Monica McEntee, Sergio Garibay, Erin Durke, Jared DeCoste, Jeffery Greathouse, Dorina Sava Gallis, (2019). Sarin on Defective Metal-Organic Framework UiO-66: An Infrared Spectroscopy Study Combined with Density Functional Theory https://www.osti.gov/servlets/purl/1643631 Publication ID: 66456

Tuan Ho, Yifeng Wang, Jeffery Greathouse, Guangping Xu, Louise Criscenti, (2019). Molecular Insight into the Swelling of Geological Materials https://www.osti.gov/servlets/purl/1643574 Publication ID: 66549

Mayank Agrawal, David Sholl, Dorina Sava Gallis, Jeffery Greathouse, (2019). Using Computer Simulations to Select Simulants for Capture of Chemical Warfare Agents in Nanoporous Materials https://www.osti.gov/servlets/purl/1646108 Publication ID: 65845

Jacob Harvey, Monica McEntee, Sergio Garibay, Erin Durke, Jared DeCoste, Jeffery Greathouse, Dorina Sava Gallis, (2019). Spectroscopically Resolved Binding Sites for the Adsorption of Sarin Gas in a Metal-Organic Framework: Insights beyond Lewis Acidity Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.9b01867 Publication ID: 70651

Charles Bryan, Margaret Gordon, Jeffery Greathouse, Philippe Weck, Eunja Kim, (2019). Novel Zoned Waste-forms for High-Priority Radionuclide Waste Streams https://doi.org/10.2172/1569156 Publication ID: 65185

Tuan Ho, Louise Criscenti, Jeffery Greathouse, (2019). Revealing Transition States during the Hydration of Clay Minerals Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.9b01565 Publication ID: 69321

Tyler Duncan, Jeffery Greathouse, (2019). Modeling Fe(II) Adsorption in Silica Nanopores https://www.osti.gov/servlets/purl/1807085 Publication ID: 69640

Philippe Weck, Eunja Kim, Margaret Gordon, Jeffery Greathouse, Stephen Meserole, Charles Bryan, (2019). Elucidating Structure-Spectral Property Relationships of Negative Thermal Expansion Zr2(WO4)(PO4)2: A First-Principles Study with Experimental Validation Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.9b06069 Publication ID: 69478

Mark Allendorf, Fred Doty, Annabelle Benin, Vitalie Stavila, Timothy Wang, Jeffery Greathouse, Mikael Nilsson, (2019). Exploiting the Tailorable Nanoporosity of Metal-Organic Frameworks for In-Situ Identification of Radioisotopes https://www.osti.gov/servlets/purl/1640848 Publication ID: 69262

Maxime Pouvreau, Jeffery Greathouse, Randall Cygan, Andrey Kalinichev, (2019). Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal-O-H Angle Bending Terms Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.7b05362 Publication ID: 56880

Jeffery Greathouse, Tuan Ho, Louise Criscenti, (2019). Mechanism of montmorillonite interlayer hydration from potential of mean force molecular dynamics simulations https://www.osti.gov/servlets/purl/1640160 Publication ID: 68770

Charles Bryan, Margaret Gordon, Philippe Weck, Jeffery Greathouse, Eunja Kim, Clay Payne, (2019). POTENTIAL USE OF NOVEL Zr-P-W WASTE-FORMS FOR RADIONUCLIDE WASTE STREAMS https://www.osti.gov/servlets/purl/1639717 Publication ID: 68138

Louise Criscenti, Tuan Ho, Jeffery Greathouse, Yifeng Wang, (2019). Enhanced Ion Adsorption on Gibbsite Nanoparticles and the Formation of Gibbsite Nano-Aggregates from Simulated Compaction and Dewatering https://www.osti.gov/servlets/purl/1639663 Publication ID: 67898

Jeffery Greathouse, Louise Criscenti, Anastasia Ilgen, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, (2019). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1639727 Publication ID: 68178

Margaret Gordon, Charles Bryan, Jeffery Greathouse, Philippe Weck, Eunja Kim, Clay Payne, (2019). Synthesis and processing of meta-stable negative thermal expansion materials ZrW2O8 and Zr2WP2O12 as a wasteform https://www.osti.gov/servlets/purl/1639760 Publication ID: 68060

Jeffery Greathouse, Philippe Weck, Margaret Gordon, Eunja Kim, Charles Bryan, (2019). Structural Properties of Crystalline and Amorphous Zirconium Tungstate from Classical Molecular Dynamics Simulations https://www.osti.gov/servlets/purl/1639576 Publication ID: 67768

Andrew Knight, Poorandokht Illani-Kashkouli, Jacob Harvey, Jeffery Greathouse, Tuan Ho, Nadine Kabengi, Anastasia Ilgen, (2019). Interfacial Reactions Driven by Nano-scale Confinement https://www.osti.gov/servlets/purl/1639605 Publication ID: 67829

Elizabeth Hanz, Margaret Gordon, Philippe Weck, Jeffery Greathouse, Meserole P., Manuela Cannady, Clay Payne, Charles Bryan, (2019). Combined computational and experimental study of zirconium tungstate https://www.osti.gov/servlets/purl/1592275 Publication ID: 64297

Jacob Harvey, Cliff Johnston, Louise Criscenti, Jeffery Greathouse, (2019). Distinguishing between bulk and edge hydroxyl vibrational properties of 2 : 1 phyllosilicates via deuteration Chemical Communications https://doi.org/10.1039/C9CC00164F Publication ID: 66111

Jeffery Greathouse, Philippe Weck, Margaret Gordon, Eunja Kim, Charles Bryan, (2019). Structural properties of crystalline and amorphous zirconium tungstate from classical molecular dynamics simulations International High-Level Radioactive Waste Management 2019, IHLRWM 2019 https://www.osti.gov/servlets/purl/1583008 Publication ID: 64177

Charles Bryan, Margaret Gordon, Philippe Weck, Jeffery Greathouse, Eunja Kim, Clay Payne, (2019). Potential use of novel Zr-P-W wasteforms for radionuclide waste streams International High-Level Radioactive Waste Management 2019, IHLRWM 2019 https://www.osti.gov/servlets/purl/1595882 Publication ID: 64437

Eunja Kim, M. Gordon, Philippe Weck, Jeffery Greathouse, S. Meserole, M. Rodriguez, Clay Payne, Charles Bryan, (2019). Combined computational and experimental study of zirconium tungstate International High-Level Radioactive Waste Management 2019, IHLRWM 2019 https://www.osti.gov/servlets/purl/1639758 Publication ID: 68057

Jacob Harvey, Jeffery Greathouse, Dorina Sava Gallis, (2018). Defect and Linker Effects on the Binding of Organophosphorous Compounds in UiO-66 and Rare-Earth MOFs Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.8b06198 Publication ID: 60174

Mayank Agrawal, Dorina Sava Gallis, Jeffery Greathouse, David Sholl, (2018). How Useful Are Common Simulants of Chemical Warfare Agents at Predicting Adsorption Behavior? Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.8b08856 Publication ID: 60053

Jacob Harvey, Cliff Johnston, Jeffery Greathouse, (2018). Infrared Spectroscopy and Ion Adsorption at Clay and Silica Surfaces https://www.osti.gov/servlets/purl/1593644 Publication ID: 59504

Margaret Gordon, Charles Bryan, Philippe Weck, Jeffery Greathouse, Clay Payne, Eunja Kim, (2018). Synthesis and processing of meta-stable negative thermal expansion materials Zr2WP2O12 and ZrW2O8 as a wasteform https://www.osti.gov/servlets/purl/1593069 Publication ID: 59638

Mayank Agrawal, Dorina Sava Gallis, Jeffery Greathouse, David Sholl, (2018). Using Computer Simulations to Select Simulants for Capture of Chemical Warfare Agents in Nanoporous Materials by Adsorption https://www.osti.gov/servlets/purl/1594327 Publication ID: 59387

Kevin Leung, Louise Criscenti, Andrew Knight, Anastasia Ilgen, Tuan Ho, Jeffery Greathouse, (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces Journal of Physical Chemistry Letters https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 58839

Margaret Gordon, Charles Bryan, Philippe Weck, Jeffery Greathouse, Clay Payne, (2018). Seeded synthesis of meta-stable negative thermal expansion materials: ZrW2O8 and Zr2WP2O12 https://www.osti.gov/servlets/purl/1592244 Publication ID: 58975

Jeffery Greathouse, (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1569324 Publication ID: 59271

Jacob Harvey, Jared DeCoste, Jeffery Greathouse, Dorina Sava Gallis, (2018). Insights into the binding and degradation of organophosphates on MOFs from a complementary experimental-modeling study https://www.osti.gov/servlets/purl/1806783 Publication ID: 63766

Jacob Harvey, Cliff Johnston, Jeffery Greathouse, (2018). Adventures in Vibrational Spectroscopy at Clay Edges: Can Experiments and Molecular Modeling Agree? https://www.osti.gov/servlets/purl/1806784 Publication ID: 63820

Louise Criscenti, Jeffery Greathouse, Anastasia Ilgen, Kevin Leung, Jacob Harvey, Tuan Ho, Andrew Knight, (2018). Interfacial Chemistry Under Nanoconfinement https://www.osti.gov/servlets/purl/1582269 Publication ID: 63836

Jacob Harvey, Monica McEntee, Sergio Garibay, Erin Durke, Jared DeCoste, Jeffery Greathouse, Dorina Sava Gallis, (2018). Binding of Organophosphorous Compounds in Metal-Organic Frameworks as Explored by Density Functional Theory and Infrared Spectroscopy https://www.osti.gov/servlets/purl/1582285 Publication ID: 63873

Mayank Agrawal, Jacob Harvey, Jeffery Greathouse, Dorina Sava Gallis, David Sholl, (2018). Using Computer Simulations to Select Simulants for Capture of Chemical Warfare Agents in Nanoporous Materials by Adsorption https://www.osti.gov/servlets/purl/1581698 Publication ID: 63655

Tuan Ho, Louise Criscenti, Jeffery Greathouse, Yifeng Wang, (2018). Molecular dynamics simulation of interaction of aqueous solution with minerals nanoparticle and nanoparticle aggregate https://www.osti.gov/servlets/purl/1581713 Publication ID: 63672

Anastasia Ilgen, Louise Criscenti, Jeffery Greathouse, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, Austen Tigges, Lourdes Loera, (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1581943 Publication ID: 63705

Philippe Weck, Margaret Gordon, Jeffery Greathouse, Charles Bryan, Stephen Meserole, M. Rodriguez, Clay Payne, Eunja Kim, (2018). Infrared and Raman spectroscopy of α-ZrW2O8: A comprehensive density functional perturbation theory and experimental study Journal of Raman Spectroscopy https://doi.org/10.1002/jrs.5396 Publication ID: 58600

Louise Criscenti, Tuan Ho, Andrew Lee, Jeffery Greathouse, Kevin Leung, Yifeng Wang, (2018). Molecular Modeling of Nanoparticle-Water Interactions: Adsorption and Aggregation https://www.osti.gov/servlets/purl/1574866 Publication ID: 63503

Kevin Leung, Louise Criscenti, Andrew Knight, Anastasia Ilgen, Tuan Ho, Jeffery Greathouse, (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surface https://doi.org/10.1021/acs.jpclett.8b02173 Publication ID: 63524

Jeffery Greathouse, Jacob Harvey, Tuan Ho, Kevin Leung, Andrew Lee, Louise Criscenti, Rafael Gonzalez, Cliff Johnston, (2018). Modeling of Adsorption and Vibrational Properties at Hydroxylated Mineral Surfaces https://www.osti.gov/servlets/purl/1575162 Publication ID: 63528

Anastasia Ilgen, Louise Criscenti, Jeffery Greathouse, Kevin Leung, Andrew Knight, Tuan Ho, Jacob Harvey, Lourdes Loera, (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1570175 Publication ID: 63086

Jacob Harvey, Monica McEntee, Sergio Garibay, Erin Durke, Jacob Harvey, Jared DeCoste, Jeffery Greathouse, Dorina Sava Gallis, (2018). Binding of Organophosphorous Compounds in Metal-Organic Frameworks as Explored by Density Functional Theory and Infrared Spectroscopy https://www.osti.gov/servlets/purl/1573186 Publication ID: 63420

Tuan Ho, Jeffery Greathouse, Louise Criscenti, Yifeng Wang, (2018). Molecular study of the edge effect on aqueous cation adsorption on gibbsite nanoparticles https://www.osti.gov/servlets/purl/1525925 Publication ID: 62464

Jeffery Greathouse, Jacob Harvey, Todd Zeitler, Louise Criscenti, Randall Cygan, Joanne Fredrich, Gary Jerauld, Cliff Johnston, (2018). Molecular Modeling of Vibrational and Adsorption Properties at Clay Edges https://www.osti.gov/servlets/purl/1526120 Publication ID: 62501

Jeffery Greathouse, Timothy Boyle, Richard Kemp, (2018). Computational Evaluation of Mg-Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene-Water Mixtures and Clay Mineral Nanopores Energy and Fuels https://doi.org/10.1021/acs.energyfuels.8b00435 Publication ID: 61495

Jeffery Greathouse, (2018). Molecular Dynamics in Nanoporous Materials using Density Functional Theory https://www.osti.gov/servlets/purl/1506567 Publication ID: 61442

Dorina Sava Gallis, Jacob Harvey, Charles Pearce, Mark Kinnan, Jeffery Greathouse, Jared DeCoste, (2018). Efficient MOF-based degradation of organophosphates in non-aqueous environments https://www.osti.gov/servlets/purl/1503426 Publication ID: 61198

Louise Criscenti, Tuan Ho, Jeffery Greathouse, Yifeng Wang, (2018). Atomistic Structure of Mineral Nano-aggregates from Simulated Compaction and Dewatering https://www.osti.gov/servlets/purl/1503760 Publication ID: 61252

Thomas Reichardt, Jeffery Greathouse, Jaideep Ray, Julia Craven, Samuel Eaton, Patrick Brady, Thomas Kulp, (2018). Developing the Color Key for “Hyperspectral Google Earth” https://www.osti.gov/servlets/purl/1806474 Publication ID: 58741

Tuan Ho, Jeffery Greathouse, Yifeng Wang, Louise Criscenti, (2017). Atomistic Structure of Mineral Nano-aggregates from Simulated Compaction and Dewatering Scientific Reports https://doi.org/10.1038/s41598-017-15639-4 Publication ID: 54023

Louise Criscenti, Tuan Ho, Jeffery Greathouse, Yifeng Wang, (2017). Differential retention and release of CO2 and CH4 in kerogen nanopores from molecular simulations https://www.osti.gov/servlets/purl/1485511 Publication ID: 54558

Jacob Harvey, Jeffery Greathouse, (2017). The Infrared Spectrum of Protonated and Deuterated Clay Edges: Validation of Model Parameters https://www.osti.gov/servlets/purl/1483163 Publication ID: 54298

Jacob Harvey, Cliff Johnston, Jeffery Greathouse, (2017). The Infrared Spectrum of Protonated and Deuterated Clay Edges: Validation of Model Parameters https://www.osti.gov/servlets/purl/1483225 Publication ID: 54345

T. Nenoff, Leo Small, Dorina Sava Gallis, Jeffery Greathouse, M. Parkes, K.W. Chapman, (2017). Light Gas Separations and Storage with MOFs; Tying the nanoscale science to bulk scale energy and environment applications https://www.osti.gov/servlets/purl/1482309 Publication ID: 54142

Dorina Sava Gallis, Charles Pearce, Mark Kinnan, Jacob Harvey, Jeffery Greathouse, Jared DeCoste, (2017). Solvolysis of Organophosphates via a Multifunctional Tunable Metal-Organic Framework Materials Platform https://www.osti.gov/servlets/purl/1481482 Publication ID: 54008

Todd Zeitler, Jeffery Greathouse, R. Cygan, J. Fredrich, G. Jerauld, (2017). Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.7b06688 Publication ID: 53375

Jeffery Greathouse, R. Cygan, J. Fredrich, G. Jerauld, (2017). 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 https://doi.org/10.1021/acs.jpcc.7b06454 Publication ID: 53243

Jeffery Greathouse, (2017). Molecular Simulations of Mineral-Fluid Interfaces with Geochemical and Petroleum Applications https://www.osti.gov/servlets/purl/1478148 Publication ID: 53548

Jeffery Greathouse, Jacob Harvey, Dorina Sava Gallis, (2017). Molecular Modeling Insights into the Adsorption and Degradation of Chemical Warfare Agents by Metal Organic Frameworks https://www.osti.gov/servlets/purl/1480392 Publication ID: 53835

Dorina Sava Gallis, Charles Pearce, Mark Kinnan, Jacob Harvey, Jeffery Greathouse, Jared DeCoste, (2017). Insights into the MOF-based Degradation of Organophosphates in Non-Aqueous Media: a Combined Experimental-Modeling Study https://www.osti.gov/servlets/purl/1466490 Publication ID: 58117

Jeffery Greathouse, (2017). Molecular Simulations of Mineral-Fluid Interfaces https://www.osti.gov/servlets/purl/1468000 Publication ID: 58177

Jacob Harvey, Cliff Johnston, Jeffery Greathouse, (2017). The Infrared Spectrum of Protonated and Deuterated Clay Edges: Validation of Model Parameters https://www.osti.gov/servlets/purl/1467999 Publication ID: 58179

Richard Kemp, Orion Staples, Jenny Sanchez, Tefere Tesema, Jeremiah Sears, Terefe Habteyes, Todd Roper, Jeffery Greathouse, Timothy Boyle, (2017). Solution Behavior and Resonance Raman Spectroscopic Investigation of salen-type Modified Subterranean Fluid Flow Tracers https://www.osti.gov/servlets/purl/1464893 Publication ID: 57924

Jeffery Greathouse, Louise Criscenti, Anastasia Ilgen, Kevin Leung, (2017). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments https://www.osti.gov/servlets/purl/1463786 Publication ID: 57780

Richard Kemp, Timothy Boyle, Jeffery Greathouse, Jeremiah Sears, Orion Staples, Diana Perales, Kevin Wyss, Todd Roper, (2017). Main group complexes useful for tracking underground fluid flows https://www.osti.gov/servlets/purl/1465915 Publication ID: 58040

Jacob Harvey, Jeffery Greathouse, Dorina Sava Gallis, (2017). Molecular Modeling Insights into the Adsorption and Degradation of Chemical Warfare Agents by Metal Organic Frameworks https://www.osti.gov/servlets/purl/1466482 Publication ID: 58107

Louise Criscenti, Tuan Ho, Jeffery Greathouse, Yifeng Wang, (2017). Molecular modeling of gas adsorption and release from subsurface porous media https://www.osti.gov/servlets/purl/1462812 Publication ID: 57669

Jeffery Greathouse, (2017). Breakout Session: Interfaces (solid/liquid) https://www.osti.gov/servlets/purl/1463443 Publication ID: 57771

Jeffery Greathouse, Jeremiah Sears, Orion Staples, Diana Perales, Kevin Wyss, Timothy Boyle, Richard Kemp, (2017). Synthesis Spectroscopy and Molecular Modeling of Metal-Ligand Tracers for Characterization of Subsurface Fluid Flow https://www.osti.gov/servlets/purl/1367236 Publication ID: 56397

T. Nenoff, Dorina Sava Gallis, Jeffery Greathouse, M.V. Parkes, K.W. Chapman, (2017). Design and Synthesis of Novel Porous Materials for Energy and Environmental Applications https://www.osti.gov/servlets/purl/1456345 Publication ID: 55519

Christopher O’Brien, Jeffery Greathouse, Craig Tenney, (2016). Dissociation of sarin on a cement analogue surface: Effects of humidity and confined geometry Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.6b10046 Publication ID: 52914

T. Nenoff, Dorina Sava Gallis, M. Rodriguez, Jeffery Greathouse, Marie Parkes, Karena Chapman, (2016). Light Gas Separations and Storage with MOFs via DFT Modeling Synthesis and Pressurized Induced Structural Changes https://www.osti.gov/servlets/purl/1420152 Publication ID: 47444

Jeffery Greathouse, Louise Criscenti, Randall Cygan, Anastasia Ilgen, Kevin Leung, (2016). Geochemistry of Interfaces: From Surfaces to Interlayers to Clusters https://www.osti.gov/servlets/purl/1375579 Publication ID: 51630

Jeffery Greathouse, (2016). Molecular Geochemistry: Atomistic Simulations of Mineral Interfaces https://www.osti.gov/servlets/purl/1378841 Publication ID: 51915

Jeffery Greathouse, (2016). Structural Thermodynamic and Transport Properties at Clay Interfaces from Molecular Simulation https://www.osti.gov/servlets/purl/1375610 Publication ID: 51673

Kimberly Caras, Jeffery Greathouse, (2016). Development of Pre-processing https://www.osti.gov/servlets/purl/1372008 Publication ID: 51029

T. Nenoff, Marie Parkes, Dorina Sava Gallis, David Hart, Jeffery Greathouse, (2016). DFT Modeling of Metal-Organic Frameworks for Oxygen-Nitrogen Separation https://www.osti.gov/servlets/purl/1368489 Publication ID: 50625

Dorina Sava Gallis, Karena Chapman, M. Rodriguez, Jeffery Greathouse, Marie Parkes, T. Nenoff, (2016). Selective O2 Sorption at Ambient Temperatures via Node Distortions in Sc-MIL-100 Chemistry of Materials https://doi.org/10.1021/acs.chemmater.6b00249 Publication ID: 46658

Jeffery Greathouse, Jeffery Greathouse, Randall Cygan, Randall Cygan, Joanne Fredrich, Joanne Fredrich, Gary Jerauld, Gary Jerauld, (2016). Comparison of Electrical Conductivity in Montmorillonite Interlayers and Corresponding Bulk Fluids Through Molecular Dynamics Simulation https://www.osti.gov/servlets/purl/1364712 Publication ID: 50114

Marie Parkes, Jeffery Greathouse, David Hart, Dorina Sava Gallis, T. Nenoff, (2016). Ab initio molecular dynamics determination of competitive O2 vs. N2 adsorption at open metal sites of M2(dobdc) Physical Chemistry Chemical Physics https://doi.org/10.1039/c6cp00768f Publication ID: 52319

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, Karena Chapman, (2016). Light Gas Separations with MOFs via https://www.osti.gov/servlets/purl/1420928 Publication ID: 48952

Richard Kemp, Jeffery Greathouse, Timothy Boyle, (2016). Detection of Soluble Ligand-Tuned Molecular Tags for Subterranean Fluid Flow Monitoring Using Resonance Raman Spectroscopy https://www.osti.gov/servlets/purl/1366672 Publication ID: 49092

Jeffery Greathouse, Randall Cygan, J. Fredrich, G. Jerauld, (2016). Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers Journal of Physical Chemistry C https://doi.org/10.1021/acs.jpcc.5b10851 Publication ID: 47754

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, (2015). Light Gas Separations with MOFs via https://www.osti.gov/servlets/purl/1336319 Publication ID: 41966

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, K.W. Chapman, (2015). Light Gas Separations and Storage with MOFs via DFT Modeling Synthesis and Pressurized Induced Structural Changes https://www.osti.gov/servlets/purl/1331898 Publication ID: 46193

Jeffery Greathouse, (2015). Molecular Geochemistry: Atomistic Simulations of Mineral Interfaces https://www.osti.gov/servlets/purl/1334583 Publication ID: 46050

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, Scott Paap, Timothy Williams, Christopher Shaddix, (2015). Novel metal-organic frameworks for efficient stationary sources via oxyfuel combustion https://doi.org/10.2172/1214247 Publication ID: 45360

Timothy Boyle, Richard Kemp, Jeffery Greathouse, Susan Altman, (2015). Detection of Soluble Ligand-Tuned Molecular Tags for Subterranean Fluid Flow Monitoring Using Resonance Raman Spectroscopy https://www.osti.gov/servlets/purl/1311526 Publication ID: 45219

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, Scott Paap, Christopher Shaddix, (2015). Light Gas Separations with MOFs via https://www.osti.gov/servlets/purl/1327468 Publication ID: 45253

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, Scott Paap, Christopher Shaddix, Timothy Williams, (2015). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis https://www.osti.gov/servlets/purl/1298878 Publication ID: 45049

Jeffery Greathouse, Dawn Geatches, Darin Pike, H. Greenwell, Cliff Johnston, Jennifer Wilcox, Randall Cygan, (2015). Methylene blue adsorption on the basal surfaces of kaolinite: Structure and thermodynamics from quantum and classical molecular simulation Clays and Clay Minerals https://www.osti.gov/biblio/1184491 Publication ID: 39103

Jeffery Greathouse, David Hart, Geoffrey Bowers, R. Kirkpatrick, Randall Cygan, (2015). Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores https://doi.org/10.1021/acs.jpcc.5b03314 Publication ID: 44025

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, K.W. Chapman, (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes https://www.osti.gov/servlets/purl/1246878 Publication ID: 42860

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, K. chapman, (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes https://www.osti.gov/servlets/purl/1248656 Publication ID: 42918

Jeffery Greathouse, David Hart, Margaret Gordon, (2015). Molecular Adsorption on (Oxy)hydroxide and Carbon Surfaces Studied by Molecular Simulation and Desorption Experiments https://www.osti.gov/servlets/purl/1249460 Publication ID: 43193

Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, Xiaoyi Zhang, T. Nenoff, (2015). Enhanced O2 selectivity versus N2 by partial metal substitution in Cu-BTC Chemistry of Materials https://doi.org/10.1021/cm5042293 Publication ID: 39649

T. Nenoff, Marie Parkes, Jeffery Greathouse, Dorina Sava Gallis, (2015). Effect of metal in M₃(btc)₂ and M₂(dobdc) MOFs for O₂/N₂ separations: A combined density functional theory and experimental study Journal of Physical Chemistry. C https://doi.org/10.1021/jp511789g Publication ID: 39665

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, Karena Chapman, (2015). Light Gas Separations and Storage with MOFs via Modeling Synthesis and Pressurized Induced Structural Changes https://www.osti.gov/servlets/purl/1331621 Publication ID: 42541

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, Scott Paap, Christopher Shaddix, M. Rodriguez, (2014). Separations with MOFs via Predictive Modeling and Tuned Synthesis https://www.osti.gov/servlets/purl/1367737 Publication ID: 39465

T. Nenoff, Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, M. Rodriguez, Scott Paap, Christopher Shaddix, (2014). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis https://www.osti.gov/servlets/purl/1563129 Publication ID: 38916

Jeffery Greathouse, Stephanie Teich-McGoldrick, Mark Allendorf, (2014). Molecular Simulation of Noble Gases and Air in Idealized Carbon Nanotubes: Tuning Pore Diameters for Size-selective Adsorption Manuscript submission to Journal of Physical Chemistry https://www.osti.gov/biblio/1183106 Publication ID: 38252

Jeffery Greathouse, (2014). Comparing MOF Properties Between Simulation and Experiment https://www.osti.gov/servlets/purl/1314617 Publication ID: 37647

T. Nenoff, Dorina Sava Gallis, Marie Parkes, M. Rodriguez, Jeffery Greathouse, Scott Paap, Christopher Shaddix, (2014). Efficient Light Gas Separations with MOFs via Predictive Modeling and Tuned Synthesis https://www.osti.gov/servlets/purl/1315097 Publication ID: 37922

Jeffery Greathouse, Mark Allendorf, (2014). Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers Journal of Physical Chemistry C https://www.osti.gov/biblio/1182966 Publication ID: 37712

Todd Zeitler, Jeffery Greathouse, Julian Gale, Randall Cygan, (2014). Vibrational analysis of brucite surfaces and the development of an improved force field for molecular simulation of interfaces Journal of Physical Chemistry C https://www.osti.gov/biblio/1117613 Publication ID: 36552

Dorina Sava Gallis, Marie Parkes, Jeffery Greathouse, Mark Rodriguez, T. Nenoff, (2014). Efficient Air Separations with MOFs for CO2 Capture via Oxy-fuel Combustion https://www.osti.gov/servlets/purl/1142535 Publication ID: 40468

Marie Parkes, Stephanie Teich-McGoldrick, Jeffery Greathouse, Mark Allendorf, (2014). Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8 Microporous and Mesoporous Materials https://doi.org/10.1016/j.micromeso.2014.03.027 Publication ID: 39206

Jeffery Greathouse, (2014). Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Experimental and Computational Methods at the Nanoscale Minerals https://doi.org/10.3390/min4020519 Publication ID: 39598

Stephanie Teich-McGoldrick, Jeffery Greathouse, Randall Cygan, (2014). Molecular dynamics simulations of uranyl adsorption and structure on the basal surface of muscovite Molecular Simulation https://doi.org/10.1080/08927022.2013.838675 Publication ID: 33886

Marie Parkes, Dorina Sava Gallis, Jeffery Greathouse, T. Nenoff, (2014). Separating Air Using Metal-Organic Frameworks: Influence of the MOF Metal on Oxygen and Nitrogen Binding Energies https://www.osti.gov/servlets/purl/1140649 Publication ID: 37130

Randall Cygan, Jeffery Greathouse, (2014). Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces The Journal of Physical Chemistry https://doi.org/10.1021/jp411092b Publication ID: 38137

Marie Parkes, Dorina Sava Gallis, Jeffery Greathouse, T. Nenoff, (2013). Separating Air Using Metal-Organic Frameworks: Influence of the MOF Metal on Oxygen and Nitrogen Binding Energies https://www.osti.gov/servlets/purl/1122417 Publication ID: 31850

Alex Robinson, Todd Zeitler, Jeffery Greathouse, Julie Denning, Joanne Volponi, Michael White, (2013). Tunable Suite of Copper(II) Paddlewheel MOF Thin Films for Small-Molecule Chemical Detection Advanced Functional Materials https://www.osti.gov/biblio/1117608 Publication ID: 36560

Jeffery Greathouse, (2013). Shedding Light on Solvated Surfaces and Interfaces https://www.osti.gov/servlets/purl/1673646 Publication ID: 36411

Stephanie Teich-McGoldrick, Jeffery Greathouse, Mark Allendorf, Marie Parkes, (2013). Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8 Microporous and Mesoporous Materials https://www.osti.gov/biblio/1095824 Publication ID: 36071

Jeffery Greathouse, Randall Cygan, (2013). Heterogeneous nucleation of methane hydrates https://www.osti.gov/servlets/purl/1095836 Publication ID: 36075

Jeffery Greathouse, Stephanie Teich-McGoldrick, Carlos Jove-Colon, Randall Cygan, (2013). Molecular Simulation of Clay Hydration: Structure and Thermodynamics as a Function of Temperature and Pressure https://www.osti.gov/servlets/purl/1095829 Publication ID: 36076

Jeffery Greathouse, (2013). Contribution of Garrison Sposito to Clay Science https://www.osti.gov/servlets/purl/1095822 Publication ID: 36086

Jeffery Greathouse, T. Nenoff, Dorina Sava Gallis, Paul Crozier, Mark Rodriguez, (2013). Metal-organic Frameworks (MOFs) for Nuclear Applications https://www.osti.gov/servlets/purl/1109058 Publication ID: 35514

Marie Parkes, Jeffery Greathouse, Mark Allendorf, (2013). Importance of Flexibility in Simulating Gas Diffusion through Metal-Organic Frameworks https://www.osti.gov/servlets/purl/1115089 Publication ID: 35536

Jeffery Greathouse, T. Nenoff, (2013). Metal-Organic Frameworks for Oxygen-Enrichment of Air: Insights from Molecular Simulation https://www.osti.gov/servlets/purl/1115069 Publication ID: 35537

Marie Parkes, Jeffery Greathouse, T. Nenoff, (2013). Novel Materials for Efficient Stationary Sources via Oxyfuel Combustion https://www.osti.gov/servlets/purl/1666181 Publication ID: 34793

Jeffery Greathouse, Stephanie Teich-McGoldrick, Randall Cygan, Carlos Jove-Colon, (2013). Molecular Simulation of Clay Hydration: Thermodynamics and Interlayer Structure https://www.osti.gov/servlets/purl/1080033 Publication ID: 33722

Jeffery Greathouse, (2013). Molecular Dynamics of Interfacial Water and Cations Associated with Clay Minerals https://www.osti.gov/servlets/purl/1660831 Publication ID: 33093

Dorina Sava Gallis, Mark Rodriguez, Jeffery Greathouse, Paul Crozier, T. Nenoff, (2013). Preferential Gas Adsorption in Cu-BTC: a Combined Molecular Modeling and Crystallographic Determination https://www.osti.gov/biblio/1073447 Publication ID: 32886

Julie Denning, Jeffery Greathouse, Alex Robinson, Vitalie Stavila, Todd Zeitler, (2013). Integrating MOFs with MEMS Devices for Chemical Sensing https://www.osti.gov/servlets/purl/1115964 Publication ID: 32739

Jeffery Greathouse, Randall Cygan, Stephanie Teich-McGoldrick, Todd Zeitler, (2013). Characterization of mineral dynamics and adsorption through molecular simulation and spectroscopy https://www.osti.gov/servlets/purl/1096589 Publication ID: 32494

Vitalie Stavila, Jeffery Greathouse, Andrew Pohl, Alex Robinson, Michael White, Todd Zeitler, (2012). Selective stress-based microcantilever sensors for enhanced surveillance https://doi.org/10.2172/1057255 Publication ID: 31024

Jeffery Greathouse, Randall Cygan, Todd Zeitler, (2012). Force field development for molecular dynamics simulations of clay minerals https://www.osti.gov/servlets/purl/1116302 Publication ID: 30472

Jeffery Greathouse, Randall Cygan, Stephanie Teich-McGoldrick, T. Nenoff, (2012). Molecular Dynamics of Interfacial Water and Cations Associated with Clay Minerals https://www.osti.gov/servlets/purl/1116315 Publication ID: 30473

John Perry, Mark Allendorf, Stephanie Teich-McGoldrick, Jeffery Greathouse, (2012). Metal-Organic Frameworks for Noble Gas Adsorption https://www.osti.gov/biblio/1073378 Publication ID: 29823

Randall Cygan, Jeffery Greathouse, K. Thürmer, Margaret Gordon, (2012). Methane Hydrate Formation on Clay Mineral Surfaces: Thermodynamic Stability and Heterogeneous Nucleation Mechanisms https://www.osti.gov/biblio/1073444 Publication ID: 29658

Todd Zeitler, Jeffery Greathouse, Mark Allendorf, (2012). Predicting Low-Pressure Oxygen Adsorption in Nanoporous Framework Materials for Sensing Applications https://www.osti.gov/biblio/1061089 Publication ID: 29659

Jeffery Greathouse, Randall Cygan, Carlos Jove-Colon, (2012). Swelling curves for clays as a function of cation and temperature https://www.osti.gov/biblio/1073250 Publication ID: 28961

Todd Zeitler, Jeffery Greathouse, Randall Cygan, (2012). Forcefield development for clay mineral edges https://www.osti.gov/biblio/1064294 Publication ID: 28962

Randall Cygan, Jeffery Greathouse, Carlos Jove-Colon, (2012). Swelling curves for clays as a function of cation and temperature https://www.osti.gov/biblio/1073320 Publication ID: 28171

Randall Cygan, Jeffery Greathouse, Carlos Jove-Colon, (2012). Swelling curves for clays as a function of cation and temperature https://www.osti.gov/biblio/1073271 Publication ID: 28089

Scott Meek, Stephanie Teich-McGoldrick, John Perry, Jeffery Greathouse, Mark Allendorf, (2012). Effects of Polarizability on the Adsorption of Noble Gases at Low Pressures in Monohalogenated Isoreticular Metal-Organic Frameworks Proposed for publication in Journal of Physical Chemistry C. https://doi.org/10.1021/jp303274m Publication ID: 27774

John Perry, Stephanie Teich-McGoldrick, Jeffery Greathouse, Mark Allendorf, Scott Meek, (2012). Effects of Pore Polarizability on the Interactions between Weakly Interacting Gases and Metal-organic Frameworks https://www.osti.gov/biblio/1067818 Publication ID: 27532

Jeffery Greathouse, Randall Cygan, Todd Zeitler, (2012). Molecular simulations of clay mineral dynamics: Applications and force field development https://www.osti.gov/biblio/1068353 Publication ID: 27238

Jeffery Greathouse, Randall Cygan, Stephanie Teich-McGoldrick, T. Nenoff, (2012). Molecular Models of Water and Cation Interactions at Layered Mineral Interfaces https://www.osti.gov/biblio/1068323 Publication ID: 27132

Jeffery Greathouse, Randall Cygan, (2012). Cover Letter for paper entitled %22 Molecular dynamics simulations of structural and mechanical properties of muscovite: pressure and temperature effects%22 Journal of physical chemistry C https://www.osti.gov/biblio/1078633 Publication ID: 27389

Jeffery Greathouse, Randall Cygan, (2012). Molecular Dynamics Simulations of Structural and Mechanical Properties of Muscovite: Pressure and Temperature Effects Journal of Physical Chemistry C https://www.osti.gov/biblio/1078626 Publication ID: 27390

Randall Cygan, Polly Hopkins, Jeffery Greathouse, Stephanie Teich-McGoldrick, Mario Martinez, Francis Hansen, J. Arguello, David Sassani, Philippe Weck, (2012). Research and Development Activities Related to the Development of Engineered Barrier Systems for Different Geologic Media https://www.osti.gov/servlets/purl/1078667 Publication ID: 26743

Jeffery Greathouse, (2011). Trends in binding phenomena of small organic molecules and CW simulants to selected materials https://www.osti.gov/servlets/purl/1290125 Publication ID: 25280

T. Nenoff, Dorina Sava Gallis, Terry Garino, James Krumhansl, D. Rademacher, Jeffery Greathouse, Haiqing Schwarz, Benjamin Cipiti, (2011). Off- Gas Sigma Team: SNL FY12 ContributionsIntroduction and Overview https://www.osti.gov/servlets/purl/1664678 Publication ID: 24849

Stephanie Teich-McGoldrick, Jeffery Greathouse, Mark Allendorf, (2011). Simulation of low-pressure noble gas adsorption in nanoporous framework materials https://www.osti.gov/servlets/purl/1118539 Publication ID: 24976

T. Nenoff, Terry Garino, James Krumhansl, Dorina Sava Gallis, D. Rademacher, Jeffery Greathouse, Benjamin Cipiti, Haiqing Schwarz, (2011). Volatile Gas Capture Development https://www.osti.gov/servlets/purl/1106739 Publication ID: 25009

Jeffery Greathouse, Margaret Gordon, (2011). Molecular Dynamics Simulation of Alcohol and Thiol Adsorption on (Oxy)hydroxide and Graphite Surfaces https://www.osti.gov/servlets/purl/1118650 Publication ID: 24399

Todd Zeitler, Jeffery Greathouse, Randall Cygan, (2011). Effects of Thermodynamic Ensemble and Mineral Surface on Interfacial Water Structure https://www.osti.gov/servlets/purl/1118632 Publication ID: 24447

Jeffery Greathouse, Randall Cygan, (2011). Mechanical properties of muscovite as a function of pressure and temperature https://www.osti.gov/servlets/purl/1107022 Publication ID: 24493

Jeffery Greathouse, Louise Criscenti, Kevin Leung, Randall Cygan, (2011). Model Development and Applications for Minerals and Environmental Interfaces https://www.osti.gov/servlets/purl/1119727 Publication ID: 24257

Todd Zeitler, Jeffery Greathouse, Randall Cygan, (2011). Effects of thermodynamic ensemble and mineral surface on interfacial water structure Physical Chemistry Chemical Physics https://www.osti.gov/biblio/1106651 Publication ID: 24077

Jeffery Greathouse, (2011). Molecular Simulations of Metal-Organic Frameworks https://www.osti.gov/servlets/purl/1106041 Publication ID: 23746

Jeffery Greathouse, (2011). Trends in Binding Phenomena of Small Organic Molecules and CW Simulants to Selected Materials https://www.osti.gov/servlets/purl/1107236 Publication ID: 23340

Dorina Sava Gallis, Terry Garino, James Krumhansl, D. Rademacher, Paul Crozier, Jeffery Greathouse, (2011). Iodine Waste Form Development and Technology https://www.osti.gov/servlets/purl/1107541 Publication ID: 23283

Jeffery Greathouse, Travis Anderson, (2011). Trends in Binding Phenomena of CW Simulants to Selected Materials https://www.osti.gov/servlets/purl/1120279 Publication ID: 23287

Jeffery Greathouse, Todd Zeitler, (2011). Grand Canonical Monte Carlo Simulation of Low-pressure Methane Adsorption in Nanoporous Framework Materials for Sensing Applications Langmuir https://www.osti.gov/biblio/1108094 Publication ID: 22752

Jeffery Greathouse, Mark Allendorf, (2011). Computational Modeling of Low-Pressure Gas Detection in Nanoporous Framework Materials https://www.osti.gov/servlets/purl/1108303 Publication ID: 22533

Jeffery Greathouse, Todd Zeitler, Alex Robinson, Vitalie Stavila, Mark Allendorf, (2011). New Microsensor Coatings for Enhanced Surveillance https://www.osti.gov/servlets/purl/1289619 Publication ID: 22462

Jeffery Greathouse, Mark Allendorf, (2011). Simulation of low-pressure noble gas adsorption in nanoporous framework materials https://www.osti.gov/servlets/purl/1120415 Publication ID: 22469

Dorina Sava Gallis, Mark Rodriguez, Jeffery Greathouse, Paul Crozier, (2011). Volatile Gas Capture in Nanoporous Metal-Organic Frameworks (MOFs) https://www.osti.gov/servlets/purl/1108298 Publication ID: 22494

Dorina Sava Gallis, Mark Rodriguez, Jeffery Greathouse, Paul Crozier, (2011). Volatile Gas Adsorption in Metal-Organic Frameworks (MOFs) https://www.osti.gov/servlets/purl/1108316 Publication ID: 22500

Jeffery Greathouse, Randall Cygan, (2011). Accessible Volume for Simulating Confined Water at Mineral Surfaces Journal of Physical Chemistry Letters https://www.osti.gov/biblio/1108659 Publication ID: 22144

Jeffery Greathouse, Chad Staiger, Mark Allendorf, Marie Parkes, (2011). Using Metal-Organic Frameworks to Capture and Store Noble Gases https://www.osti.gov/servlets/purl/1109037 Publication ID: 21931

Dorina Sava Gallis, Mark Rodriguez, Paul Crozier, Jeffery Greathouse, (2011). A Molecular Trap for Iodine Gas: an Insight into the Capture of I2%40ZIF-8 Science https://www.osti.gov/biblio/1108823 Publication ID: 22013

J. Lee, R. Houk, Alex Robinson, Jeffery Greathouse, Steven Thornberg, M. Allendorf, P. Hesketh, (2010). Investigation of microcantilever array with ordered nanoporous coatings for selective chemical detection Proceedings of SPIE – The International Society for Optical Engineering https://www.osti.gov/biblio/991019 Publication ID: 17664