Quantum-accurate multiscale modeling in highly compressed metals  

Mitchell Wood, Svetoslav Nikolov, Andrew Rohskopf, Michael Desjarlais, Attila Cangi, Julien Tranchida, (2022). Quantum-Accurate Multiscale Modeling of Shock Hugoniots, Ramp Compression Paths, Structural and Magnetic Phase Transitions, and Transport Properties in Highly Compressed Metals https://doi.org/10.2172/1898251 Publication ID: 80244

James Goff, Charles Sievers, Mitchell Wood, Aidan Thompson, (2022). Permutation-adapted complete and independent basis for atomic cluster expansion descriptors https://doi.org/10.2172/1879613 Publication ID: 80036

James Stewart, Mitchell Wood, Joseph Olles, (2022). Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability Journal of Applied Physics https://doi.org/10.1063/5.0082495 Publication ID: 80505

Ravi Patel, Indu Manickam, Nathaniel Trask, Mitchell Wood, Myoungkyu Lee, Ignacio Tomas, Eric Cyr, (2022). Thermodynamically consistent physics-informed neural networks for hyperbolic systems Journal of Computational Physics https://doi.org/10.2172/1847572 Publication ID: 77371

Svetoslav Nikolov, Mitchell Wood, Attila Cangi, Jean Maillet, Mihai Marinica, Aidan Thompson, Michael Desjarlais, Julien Tranchida, (2021). Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics npj Computational Materials https://www.osti.gov/servlets/purl/1870099 Publication ID: 78587

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2021). Development of SNASP Machine Learned Interatomic Potentials for Materials in Extreme Environments https://doi.org/10.2172/1899237 Publication ID: 76870

David Littlewood, Mitchell Wood, David Montes de Oca Zapiain, Sivasankaran Rajamanickam, Nathaniel Trask, (2021). Sandia / IBM Discussion on Machine Learning for Materials Applications [Slides] https://doi.org/10.2172/1828106 Publication ID: 76348

Neil Cole-Filipiak, Robert Knepper, Mitchell Wood, Krupa Ramasesha, (2021). Mode-Selective Vibrational Energy Transfer Dynamics in 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) Thin Films Journal of Physical Chemistry A https://doi.org/10.1021/acs.jpca.1c04800 Publication ID: 75464

Mary Cusentino, N. Bobbitt, Mitchell Wood, Aidan Thompson, (2021). Development of SNAP Interatomic Potentials for Studying Mixed Materials Effects at the Tungsten Divertor https://doi.org/10.2172/1890848 Publication ID: 75965

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2021). Development of SNAP Potentials for Fusion Reactor Materials https://doi.org/10.2172/1882069 Publication ID: 79641

Julien Tranchida, (2021). Large-scale theroretical predictions of pressure and temperature ramps in iron https://doi.org/10.2172/1888143 Publication ID: 79712

Mitchell Wood, Aidan Thompson, Mary Cusentino, David Montes de Oca Zapiain, Ivan Oleynik, (2021). Interatomic Potentials for Materials Science and Beyond; Advances in Machine Learned Spectral Neighborhood Analysis Potentials https://doi.org/10.2172/1883516 Publication ID: 79748

Mitchell Wood, (2021). LAMMPS Users Meeting 2021: Visualization Tutorial https://doi.org/10.2172/1891069 Publication ID: 79749

Julien Tranchida, (2021). Magneto-elastic predictions with LAMMPS and the SPIN package https://doi.org/10.2172/1884091 Publication ID: 79847

Gonzalo dos Santos, Robert Meyer, Romina Aparicio, Julien Tranchida, Eduardo Bringa, Herbert Urbassek, (2021). Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles Applied Physics Letters https://doi.org/10.1063/5.0055606 Publication ID: 79484

Ravi Patel, Nathaniel Trask, Mitchell Wood, Eric Cyr, (2021). Modal Operator Regression for Extracting Nonlocal Continuum Models https://doi.org/10.2172/1881690 Publication ID: 79600

Julien Tranchida, (2021). LAMMPS, a brief overview and examples of modifications https://www.osti.gov/servlets/purl/1884410 Publication ID: 78919

Julien Tranchida, Mary Cusentino, Mitchell Wood, Aidan Thompson, (2021). First-principles and classical computational study of W/ZrC interfaces https://doi.org/10.2172/1866898 Publication ID: 78336

Mary Cusentino, Mitchell Wood, Chun-Shang Wong, Robert Kolasinski, Brian Wirth, Aidan Thompson, (2021). Molecular Dynamics Simulations of Hydrogen and Nitrogen on Tungsten Surfaces https://doi.org/10.2172/1866199 Publication ID: 78291

Chun-Shang Wong, Robert Kolasinski, Josh Whaley, Mary Cusentino, Mitchell Wood, Brian Wirth, Aidan Thompson, (2021). Nitrogen effects on hydrogen adsorption at tungsten surfaces https://doi.org/10.2172/1866560 Publication ID: 78328

P. Nieves, Julien Tranchida, S. Arapan, D. Legut, (2021). Spin-lattice model for cubic crystals Physical Review B https://doi.org/10.1103/physrevb.103.094437 Publication ID: 77994

Anh Tran, Julien Tranchida, Timothy Wildey, Aidan Thompson, (2021). Multi-fidelity ML/UQ and Bayesian Optimization for Materials Design: Application to Ternary Random Alloys https://doi.org/10.2172/1853874 Publication ID: 77392

Ravi Patel, Nathaniel Trask, Mitchell Wood, Eric Cyr, (2021). A Physics-Informed Operator Regression Framework for Extracting Data-Driven Continuum Models https://doi.org/10.2172/1853856 Publication ID: 77404

Mitchell Wood, Charles Sievers, Aidan Thompson, Nicholas Lubbers, Perez Danny, (2021). Building a Better Database to Learn From; Application to Interatomic Potentials https://doi.org/10.2172/1853859 Publication ID: 77408

Lucas Stanek, Raymond Clay III, M.W.C. Dharma-wardana, Mitchell Wood, Kristian Beckwith, Michael Murillo, (2021). Efficacy of the radial pair potential approximation for molecular dynamics simulations in warm dense plasmas https://doi.org/10.2172/1856473 Publication ID: 77724

Lucas Stanek, Raymond Clay III, M. Dharma-Wardana, Mitchell Wood, Kristian Beckwith, Michael Murillo, (2021). Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas Physics of Plasmas https://doi.org/10.1063/5.0040062 Publication ID: 77470

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2021). Development of Machine Learned SNAP Potentials for Studying Radiation Damage in Materials https://doi.org/10.2172/1847209 Publication ID: 77316

Marcus Knudson, Michael Desjarlais, Ronald Redmer, Martin Preising, (2021). Coupling the Sandia Z Machine and Condensed Matter Theory to Understand Extreme Dynamic Compression Experiments https://www.osti.gov/servlets/purl/1845620 Publication ID: 76840

George Laity, Allen Robinson, Michael Cuneo, Mary Alam, Kristian Beckwith, Nichelle Bennett, Matthew Bettencourt, Stephen Bond, Kyle Cochrane, Louise Criscenti, Eric Cyr, Karen De Zetter, Richard Drake, Evstati Evstatiev, Andrew Fierro, Thomas Gardiner, Forrest Glines, Ronald Goeke, Nathaniel Hamlin, Russell Hooper, Jason Koski, James Lane, Steven Larson, Kevin Leung, Duncan McGregor, Philip Miller, Sean Miller, Susan Ossareh, Edward Phillips, Sean Simpson, David Sirajuddin, Thomas Smith, Matthew Swan, Aidan Thompson, Julien Tranchida, Asa Bortz-Johnson, Dale Welch, Alex Russell, Eric Watson, David Rose, Ryan McBride, (2021). Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models (Final Report) https://doi.org/10.2172/1813907 Publication ID: 75144

Lucas Stanek, Raymond Clay III, Kristian Beckwith, Mitchell Wood, Chandre Dharma-wardana, Michael Murillo, (2020). Effective Pair Potentials for Dense Plasma Applications https://doi.org/10.2172/1836178 Publication ID: 72224

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2020). Machine Learned SNAP Potentials for Materials Modeling https://www.osti.gov/servlets/purl/1837138 Publication ID: 72253

G. Dos Santos, R. Aparicio, D. Linares, E. Miranda, Julien Tranchida, G. Pastor, E. Bringa, (2020). Size- And temperature-dependent magnetization of iron nanoclusters Physical Review B https://doi.org/10.1103/physrevb.102.184426 Publication ID: 72118

Ravi Patel, Nathaniel Trask, Mitchell Wood, Eric Cyr, (2020). A physics-informed operator regression framework for extracting data-driven continuum models Computer Methods in Applied Mechanics and Engineering https://doi.org/10.1016/j.cma.2020.113500 Publication ID: 73586

Ravi Patel, Nathaniel Trask, Mitchell Wood, Eric Cyr, (2020). Learning continuum-scale models from micro-scale dynamics via Operator Regression https://doi.org/10.2172/1834283 Publication ID: 71999

Anh Tran, Timothy Wildey, Julien Tranchida, Aidan Thompson, (2020). Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: Application to ternary random alloys Journal of Chemical Physics https://doi.org/10.1063/5.0015672 Publication ID: 73589

A. Ivanov, D. Dagbartsson, Julien Tranchida, V. Uzdin, H. Jónsson, (2020). Efficient optimization method for finding minimum energy paths of magnetic transitions Journal of Physics Condensed Matter https://doi.org/10.1088/1361-648x/ab8b9c Publication ID: 74568

Aidan Thompson, Mitchell Wood, Attila Cangi, Michael Desjarlais, Julien Tranchida, (2020). Improving the accuracy of spin-lattice simulations with machine-learning interatomic potentials https://www.osti.gov/servlets/purl/1778150 Publication ID: 73267

Mitchell Wood, James Stewart, (2020). Coupled Experiment and Theory to Explore the Limits of Material Strength at High Strain Rates https://www.osti.gov/servlets/purl/1771448 Publication ID: 73066

Michael Desjarlais, Marcus Knudson, R. Redmer, (2020). Thermodynamics of the insulator-metal transition in dense liquid deuterium Physical Review B https://doi.org/10.1103/PhysRevB.101.104101 Publication ID: 66522

Judith Brown, D. Kittell, Mitchell Wood, Aidan Thompson, Dan Bolintineanu, (2020). Multiscale modeling to study effects of microstructure in shocked hexanitrostilbene https://www.osti.gov/servlets/purl/1767897 Publication ID: 72758

Mitchell Wood, Steven Plimpton, Aidan Thompson, Danny Perez, Anders Niklasson, (2020). A Path to the Exascale for Atomistic Simulations with Improved Accuracy Length and Time Scales https://www.osti.gov/servlets/purl/1783582 Publication ID: 72854

Mitchell Wood, Mary Cusentino, Aidan Thompson, (2020). Scale-Bridging From DFT to MD with Machine Learning https://www.osti.gov/servlets/purl/1766923 Publication ID: 72603

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2020). Molecular Dynamics Simulations of Mixed Materials in Tungsten https://www.osti.gov/servlets/purl/1766750 Publication ID: 72638

Yunxing Zuo, Chi Chen, Xiangguo Li, Zhi Deng, Yiming Chen, Jörg Behler, Gábor Csányi, Alexander Shapeev, Aidan Thompson, Mitchell Wood, Shyue Ong, (2020). Performance and Cost Assessment of Machine Learning Interatomic Potentials Journal of Physical Chemistry A https://doi.org/10.1021/acs.jpca.9b08723 Publication ID: 69740

Julien Tranchida, Attila Cangi, Mitchell Wood, Aidan Thompson, Michael Desjarlais, (2020). Improving the accuracy of spin-lattice calculations with machine-learned interatomic potentials https://www.osti.gov/servlets/purl/1763622 Publication ID: 70897

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2019). Machine Learned Interatomic Potentials for Studying Plasma Material Interactions https://www.osti.gov/servlets/purl/1761053 Publication ID: 66806

Peter Schultz, Julien Tranchida, Michael Chandross, Aidan Thompson, (2019). From First-Principles toward atomistic understanding of mechanical properties in High-Entropy Alloys https://www.osti.gov/servlets/purl/1643633 Publication ID: 66463

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2019). Machine Learned Interatomic Potentials for Modeling Plasma Material Interactions https://www.osti.gov/servlets/purl/1642843 Publication ID: 65685

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2019). Molecular Dynamics Modeling of Mixed Materials in Tungsten Using Machine Learned Interatomic Potentials https://www.osti.gov/servlets/purl/1642931 Publication ID: 65686

Marcus Knudson, Michael Desjarlais, Ronald Redmer, Martin Preising, (2019). Dynamic compression experiments on deuterium and their implications for first-principles theory https://www.osti.gov/servlets/purl/1642658 Publication ID: 65433

Kyle Cochrane, Patricia Kalita, Tommy Ao, Seth Root, John Kaushagen, Keith Jones, Rudy Magyar, T. Mattsson, Michael Desjarlais, (2019). Shock Compression of Hydrocarbons to Mbar Pressures; Successes Challenges and Lessons Learned https://www.osti.gov/servlets/purl/1643017 Publication ID: 65962

Aidan Thompson, Mitchell Wood, Mary Cusentino, Julien Tranchida, (2019). Scale Bridging with SNAP Machine-Learning Interatomic Potentials https://www.osti.gov/servlets/purl/1641919 Publication ID: 64748

Chad McCoy, Marcus Knudson, Michael Desjarlais, (2019). Sound velocity, shear modulus, and shock melting of beryllium along the Hugoniot Physical Review B https://doi.org/10.1103/PhysRevB.100.054107 Publication ID: 70554

Mitchell Wood, (2019). Extending ab initio Calculations with Machine Learned Potentials for Molecular Dynamics https://www.osti.gov/servlets/purl/1641617 Publication ID: 70430

Mary Cusentino, Mitchell Wood, Aidan Thompson, (2019). Machine Learned Interatomic Potentials for Modeling Plasma Material Interactions https://www.osti.gov/servlets/purl/1641622 Publication ID: 70433

Raymond Clay III, Michael Desjarlais, Luke Shulenburger, (2019). Deuterium Hugoniot: Pitfalls of thermodynamic sampling beyond density functional theory Physical Review B https://doi.org/10.1103/PhysRevB.100.075103 Publication ID: 70524

Julien Tranchida, Aidan Thompson, Peter Schultz, (2019). Machine-learned interatomic potentials and data analysis for quantum accurate multiscale simulations of high-entropy alloys https://www.osti.gov/servlets/purl/1641511 Publication ID: 70302

Seth Root, Michael Desjarlais, Patricia Kalita, Chad McCoy, Charles Alexander, (2019). Shock Compression Response of Calcium Fluoride (CaF2) https://www.osti.gov/servlets/purl/1640949 Publication ID: 69386

Neil Cole-Filipiak, Michael Marquez, Robert Knepper, Robert Harmon, Deneille Wiese-Smith, Paul Schrader, Mitchell Wood, Krupa Ramasesha, (2019). Ultrafast Spectroscopic Studies of Vibrational Energy Transfer in Energetic Materials https://www.osti.gov/servlets/purl/1640776 Publication ID: 69151

Neil Cole-Filipiak, Michael Marquez, Robert Knepper, Robert Harmon, Deneille Wiese-Smith, Paul Schrader, Mitchell Wood, Krupa Ramasesha, (2019). Ultrafast Spectroscopic Studies of Vibrational Energy Transfer in Energetic Materials https://www.osti.gov/servlets/purl/1640777 Publication ID: 69152

Marcus Knudson, Michael Desjarlais, Martin Preising, Ronald Redmer, (2019). First-principles calculations of multiple-shock conductivity measurements in hydrogen and deuterium https://www.osti.gov/servlets/purl/1640818 Publication ID: 69210

Michael Desjarlais, Christopher Seagle, A. Porwitzky, Brian Jensen, (2019). Dynamic Freezing of Liquid Cerium Under Shock-Ramp Compression https://www.osti.gov/servlets/purl/1640833 Publication ID: 69235

Mitchell Wood, (2019). Multi-scale Modeling of Shock Sensitivity in Energetic Materials https://www.osti.gov/servlets/purl/1640855 Publication ID: 69273

Judith Brown, D. Kittell, Mitchell Wood, Aidan Thompson, Dan Bolintineanu, (2019). Multiscale modeling to determine the effect of porosity distribution on shocked hexanitrostilbene https://www.osti.gov/servlets/purl/1640149 Publication ID: 68747

Judith Brown, D. Kittell, Mitchell Wood, Aidan Thompson, Dan Bolintineanu, (2019). Multiscale modeling to determine the effect of porosity distribution on shocked hexanitrostilbene https://www.osti.gov/servlets/purl/1639905 Publication ID: 68356

Michael Desjarlais, Marcus Knudson, Ronald Redmer, (2019). Comment on “Insulator-metal transition in dense fluid deuterium” Science https://doi.org/10.1126/science.aaw0969 Publication ID: 65693

Eduardo Waisman, Michael Desjarlais, Michael Cuneo, (2019). Ion current losses in the convolute and inner magnetically insulated transmission line of the $Z$ machine Physical Review Accelerators and Beams https://doi.org/10.1103/PhysRevAccelBeams.22.030402 Publication ID: 64196

Mitchell Wood, Mary Cusentino, Aidan Thompson, (2019). Scale-bridging From the Atoms Up; Employing Machine Learning for Molecular Dynamics https://www.osti.gov/servlets/purl/1639357 Publication ID: 67402

T. Mattsson, Gil Shohet, Joshua Townsend, Luke Shulenburger, Michael Desjarlais, (2019). Critical point liquid-vapor coexistence and melting of Mg2SiO4 from ab-initio simulations https://www.osti.gov/servlets/purl/1639280 Publication ID: 67304

Joshua Townsend, Gil Shohet, Luke Shulenburger, Michael Desjarlais, (2019). Critical point liquid-vapor coexistence and melting of Mg2SiO4 from ab-initio simulations https://www.osti.gov/servlets/purl/1639238 Publication ID: 67231

Aidan Thompson, Mitchell Wood, Mary Cusentino, (2019). Large-scale Atomistic Simulations of Materials using SNAP Potentials https://www.osti.gov/servlets/purl/1639262 Publication ID: 67255

Julien Tranchida, Aidan Thompson, Steven Plimpton, Pascal Thibaudeau, (2019). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework https://www.osti.gov/servlets/purl/1582121 Publication ID: 64159

Julien Tranchida, Pascal Thibaudeau, Stam Nicolis, (2018). Hierarchies of Landau-Lifshitz-Bloch equations for nanomagnets: A functional integral framework Physical Review E https://doi.org/10.1103/PhysRevE.98.042101 Publication ID: 59012

Christopher Seagle, Michael Desjarlais, A. Porwitzky, Brian Jensen, (2018). Compressive Solidification of Shock Melted Cerium https://www.osti.gov/servlets/purl/1806915 Publication ID: 59532

T. Mattsson, Gil Shohet, Joshua Townsend, Luke Shulenburger, Michael Desjarlais, (2018). Critical point liquid-vapor coexistence and melting of Mg$_{2}$SiO$_{4}$ from \textit{ab-initio} simulations https://www.osti.gov/servlets/purl/1592671 Publication ID: 59878

Mitchell Wood, Mary Cusentino, Aidan Thompson, (2018). Scale-bridging from the Atoms Up; Employing Machine Learning to Improve the Accuracy and Scalability of MD Mitchell Wood Mary Alice Cusentino and Aidan Thompson Center for Computing Research Sandia National Labs https://www.osti.gov/servlets/purl/1592653 Publication ID: 59885

Raymond Clay III, Luke Shulenburger, Michael Desjarlais, (2018). The Principal Hugoniot of Deuterium: Potential Pitfalls of Beyond-DFT Thermodynamic Sampling https://www.osti.gov/servlets/purl/1592075 Publication ID: 58922

D. Kittell, C. Yarrington, Dan Bolintineanu, Jeremy Lechman, Mitchell Wood, Robert Knepper, Joseph Olles, Aidan Thompson, Ryan Wixom, (2018). Mesoscale Modeling of Explosives at Sandia National Laboratories: Past and Future Directions a GA Tech Graduate Seminar Series Lecture https://www.osti.gov/servlets/purl/1592241 Publication ID: 58971

Julien Tranchida, Mitchell Wood, Stan Moore, (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework: LDRD Final Report https://doi.org/10.2172/1493836 Publication ID: 59237

Mitchell Wood, Mary Cusentino, Aidan Thompson, (2018). Scalable Machine Learned Interatomic Potentials With SNAP https://www.osti.gov/servlets/purl/1582188 Publication ID: 63750

Julien Tranchida, (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework https://www.osti.gov/servlets/purl/1581553 Publication ID: 63635

Julien Tranchida, Mitchell Wood, Stan Moore, Steven Plimpton, Aidan Thompson, Pascal Thibaudeau, (2018). Spin-orbit coupling and magnetic long-range dipolar interaction for coupled spin-lattice dynamics https://www.osti.gov/servlets/purl/1581554 Publication ID: 63636

Kyle Cochrane, Michael Desjarlais, James Lane, Kevin Leung, Aidan Thompson, Alan Wright, (2018). Desorption Source Modeling: from Electronic Structure Molecular Dynamics Temkin Isotherm to Finite Element Calculations https://www.osti.gov/servlets/purl/1581555 Publication ID: 63637

C. Yarrington, D. Kittell, Dan Bolintineanu, Jeremy Lechman, Mitchell Wood, Robert Knepper, Joseph Olles, Aidan Thompson, Ryan Wixom, (2018). Mesoscale Modeling of Explosives at Sandia National Laboratories: Past and Future Directions https://www.osti.gov/servlets/purl/1532456 Publication ID: 62935

C. Yarrington, D. Kittell, Dan Bolintineanu, Jeremy Lechman, Mitchell Wood, Robert Knepper, Joseph Olles, Aidan Thompson, Ryan Wixom, (2018). Mesoscale Modeling of Explosives at Sandia National Laboratories: Past and Future Directions https://www.osti.gov/servlets/purl/1532457 Publication ID: 62936

Raymond Clay III, Luke Shulenburger, Michael Desjarlais, (2018). The Principal Hugoniot of Deuterium: Potential Pitfalls of Beyond-DFT Thermodynamic Sampling https://www.osti.gov/servlets/purl/1574267 Publication ID: 63468

Mitchell Wood, Aidan Thompson, (2018). Extending the accuracy of the SNAP interatomic potential form Journal of Chemical Physics https://doi.org/10.1063/1.5017641 Publication ID: 54748

Julien Tranchida, Aidan Thompson, Steven Plimpton, Pascal Thibaudeau, (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework https://www.osti.gov/servlets/purl/1523704 Publication ID: 62277

Mitchell Wood, D. Kittell, C. Yarrington, Aidan Thompson, (2018). Shock Initiation at the Mesoscale: Bridging Atomistic and Continuum Simulation https://www.osti.gov/servlets/purl/1524823 Publication ID: 62333

Andrew Baczewski, Attila Cangi, Michael Desjarlais, Stephanie Hansen, Daniel Jensen, Rudolph Magyar, Luke Shulenburger, (2018). Real-time dynamics of warm dense matter https://www.osti.gov/servlets/purl/1524696 Publication ID: 62347

Julien Tranchida, Aidan Thompson, Steven Plimpton, Jamin Pillars, Todd Monson, Eric Langlois, Attila Cangi, Pascal Thibaudeau, (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework https://www.osti.gov/servlets/purl/1508692 Publication ID: 61617

Julien Tranchida, (2018). Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework https://www.osti.gov/servlets/purl/1508693 Publication ID: 61618

Raymond Clay III, Luke Shulenburger, Michael Desjarlais, (2018). Anharmonicity in Equation of State Calculations: A Cross-Validation Study https://www.osti.gov/servlets/purl/1499857 Publication ID: 61020

Raymond Clay III, Raymond Clay III, Raymond Clay III, Luke Shulenburger, Michael Desjarlais, (2018). The Principal Hugoniot of Deuterium: Potential Pitfalls of Beyond-DFT Thermodynamic Sampling https://www.osti.gov/servlets/purl/1512362 Publication ID: 60772

Mitchell Wood, Aidan Thompson, (2018). Linear Scaling Quantum-Accurate Interatomic Potentials with SNAP; Accessing those ?hard-to-reach? places in Classical Molecular Dynamics https://www.osti.gov/servlets/purl/1498602 Publication ID: 60914

Seth Root, Michael Desjarlais, Ray Lemke, Patricia Kalita, C. Scott Alexander, (2018). Shock Compression Response of Calcium Fluoride https://www.osti.gov/servlets/purl/1512647 Publication ID: 58586

Roberto Scipioni, Lars Stixrude, Michael Desjarlais, (2017). Electrical conductivity of SiO2 at extreme conditions and planetary dynamos Proceedings of the National Academy of Sciences of the United States of America https://doi.org/10.1073/pnas.1704762114 Publication ID: 55985

Mitchell Wood, D. Kittell, C. Yarrington, Aidan Thompson, (2017). Multiscale Analysis of Cavity Collapse in High Explosives https://www.osti.gov/servlets/purl/1508720 Publication ID: 58022

Michael Desjarlais, Marcus Knudson, Kyle Cochrane, (2017). Extension of the Hugoniot and analytical release model of α -quartz to 0.2-3 TPa Journal of Applied Physics https://doi.org/10.1063/1.4991814 Publication ID: 56270

Julien Tranchida, Aidan Thompson, Steven Plimpton, (2017). Spin–lattice simulations with LAMMPS https://www.osti.gov/servlets/purl/1462618 Publication ID: 57621

Julien Tranchida, Aidan Thompson, Steven Plimpton, (2017). Spin–lattice simulations with LAMMPS https://www.osti.gov/servlets/purl/1462619 Publication ID: 57622

Mitchell Wood, D. Kittell, C. Yarrington, Aidan Thompson, (2017). Shock Waves and Defects in Energetic Materials a Match Made in MD Heaven https://www.osti.gov/servlets/purl/1460153 Publication ID: 57159

Michael Furnish, Luke Shulenburger, Michael Desjarlais, Yingwei Fei, (2017). Recent research on stishovite: Hugoniot and partial release Z experiments and DFT EOS calculations https://www.osti.gov/servlets/purl/1506598 Publication ID: 57257

Michael Desjarlais, (2017). Density Functional Methods for Shock Physics and High Energy Density Science https://www.osti.gov/servlets/purl/1506883 Publication ID: 57296

Chad McCoy, Marcus Knudson, Michael Desjarlais, (2017). Sound velocity and strength of beryllium along the principal Hugoniot https://www.osti.gov/servlets/purl/1513617 Publication ID: 57116

Dawn Flicker, John Benage, Michael Desjarlais, Marcus Knudson, Gordon Leifeste, Raymond Lemke, T. Mattsson, J. Wise, (2017). Sandia Dynamic Materials Program Strategic Plan https://doi.org/10.2172/1367395 Publication ID: 56133

Marcus Knudson, Michael Desjarlais, A. Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, R. Redmer, (2017). Dynamic compression experiments on deuterium and their implications for first-principles theory https://www.osti.gov/servlets/purl/1457851 Publication ID: 56149

D. Kittell, C. Yarrington, Mitchell Wood, Aidan Thompson, (2017). Multiscale Analysis and Comparison of Cavity Collapse in High Explosives https://www.osti.gov/servlets/purl/1367289 Publication ID: 56444

Andrew Baczewski, Attila Cangi, Michael Desjarlais, Stephanie Hansen, Daniel Jensen, Luke Shulenburger, (2017). Real-Time TDDFT of Warm Dense Matter: Linear Response and Beyond https://www.osti.gov/servlets/purl/1456517 Publication ID: 55814

Luke Shulenburger, Kyle Cochrane, T. Mattsson, James Lane, Philippe Weck, Tracy Vogler, Michael Desjarlais, (2017). Combining experiments on porous materials with DFT to access and quantify warm dense matter conditions https://www.osti.gov/servlets/purl/1456585 Publication ID: 55846

Kyle Cochrane, Luke Shulenburger, T. Mattsson, James Lane, Philippe Weck, Tracy Vogler, Michael Desjarlais, (2017). Modeling the shock hugoniot in porous materials https://www.osti.gov/servlets/purl/1456591 Publication ID: 55886

Kyle Cochrane, Luke Shulenburger, T. Mattsson, James Lane, Philippe Weck, Tracy Vogler, Michael Desjarlais, (2017). Modeling the Shock Hugoniot in Porous Materials https://www.osti.gov/servlets/purl/1456592 Publication ID: 55887

Michael Desjarlais, (2017). Development of a wide-range electrical and thermal conductivity model for ICF applications https://www.osti.gov/servlets/purl/1456437 Publication ID: 55662

Andrew Baczewski, Daniel Jensen, Attila Cangi, Michael Desjarlais, Stephanie Hansen, Luke Shulenburger, (2017). Real-time TDDFT beyond the linear response regime https://www.osti.gov/servlets/purl/1456444 Publication ID: 55671

Tommy Ao, Eric Harding, Marius Schollmeier, James Bailey, Raymond Lemke, Michael Desjarlais, Stephanie Hansen, I. Smith, Patrick Rambo, John Benage, (2017). X-ray diagnostics for warm dense matter experiments on the Z-Accelerator https://www.osti.gov/servlets/purl/1456430 Publication ID: 55679

Luke Shulenburger, Raymond Clay III, T. Mattsson, Michael Desjarlais, (2017). Understanding quantum Monte Carlo applied to Warm Dense Matter https://www.osti.gov/servlets/purl/1456475 Publication ID: 55684

Mitchell Wood, Aidan Thompson, (2017). Quantum-Accurate Molecular Dynamics Potential for Tungsten https://doi.org/10.2172/1365473 Publication ID: 55572

Mitchell Wood, D. Kittell, C. Yarrington, Aidan Thompson, (2017). Shock Waves and Defects in Energetic Materials a Match Made in MD Heaven https://www.osti.gov/servlets/purl/1507631 Publication ID: 55321

Aidan Thompson, Mitchell Wood, (2017). SNAP: Automated Generation of High-Accuracy Interatomic Potentials using Quantum Data https://www.osti.gov/servlets/purl/1507630 Publication ID: 55265

C. Yarrington, Aidan Thompson, D. Kittell, Mitchell Wood, (2017). L2 Milestone: Multiscale Analysis and Comparisons of Cavity Collapse in High Explosives https://www.osti.gov/servlets/purl/1456388 Publication ID: 55550

Marcus Knudson, Michael Desjarlais, Raymond Lemke, (2016). Shock compression experiments on Lithium Deuteride (LiD) single crystals Journal of Applied Physics https://doi.org/10.1063/1.4972553 Publication ID: 47557

J. Narkis, H. Rahman, P. Ney, Michael Desjarlais, F. Wessel, F. Conti, J. Valenzuela, F. Beg, (2016). Shock formation in Ne, Ar, Kr, and Xe on deuterium gas puff implosions Physics of Plasmas https://doi.org/10.1063/1.4972547 Publication ID: 52684

A. Hmiel, J. Winey, Y. Gupta, Michael Desjarlais, (2016). Nonlinear elastic response of strong solids: First-principles calculations of the third-order elastic constants of diamond Physical Review B https://doi.org/10.1103/PhysRevB.93.174113 Publication ID: 52685

Marcus Knudson, Michael Desjarlais, A. Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, R. Redmer, (2016). Hydrogen Metallization https://www.osti.gov/servlets/purl/1368789 Publication ID: 50142

Luke Shulenburger, Andrew Baczewski, Michael Desjarlais, Christopher Seagle, (2016). Highly Accurate Calculations of the Phase Diagram of Cold Lithium https://www.osti.gov/servlets/purl/1364813 Publication ID: 49023

Tommy Ao, Eric Harding, James Bailey, Raymond Lemke, Michael Desjarlais, Stephanie Hansen, I. Smith, Matthias Geissel, Andrew Maurer, Joseph Reneker, D. Romero, D. Sinars, Gregory Rochau, John Benage, (2016). Demonstration of space-resolved x-ray Thomson scattering capability for warm dense matter experiments on the Z accelerator High Energy Density Physics https://doi.org/10.1016/j.hedp.2016.01.002 Publication ID: 45761

Martin French, Michael Desjarlais, Ronald Redmer, (2016). Ab initio calculation of thermodynamic potentials and entropies for superionic water Physical Review E https://doi.org/10.1103/PhysRevE.93.022140 Publication ID: 51013

Andrew Baczewski, Luke Shulenburger, Michael Desjarlais, Stephanie Hansen, Rudolph Magyar, (2016). X-Ray Thomson Scattering without the Chihara Decomposition https://www.osti.gov/servlets/purl/1345891 Publication ID: 48637

Andrew Baczewski, Luke Shulenburger, Michael Desjarlais, Stephanie Hansen, Rudolph Magyar, (2016). Recent Developments in TDDFT of Warm Dense Matter https://www.osti.gov/servlets/purl/1342464 Publication ID: 46903

John Benage, Marcus Knudson, Michael Desjarlais, (2015). High precision Hugoniot measurements of D2 near maximum compression https://www.osti.gov/servlets/purl/1339198 Publication ID: 41987

Marcus Knudson, Michael Desjarlais, A. Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, R. Redmer, (2015). Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium https://doi.org/10.1126/science.aaa7471 Publication ID: 44280

Marcus Knudson, Michael Desjarlais, A. Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, R. Redmer, (2015). Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium Science https://www.osti.gov/servlets/purl/1256547 Publication ID: 43719

Marcus Knudson, Michael Desjarlais, Aurora Pribram-Jones, (2015). Adiabatic release measurements in aluminum between 400 and 1200 GPa: Characterization of aluminum as a shock standard in the multimegabar regime Physical Review B – Condensed Matter and Materials Physics https://doi.org/10.1103/PhysRevB.91.224105 Publication ID: 42345

Tommy Ao, Eric Harding, James Bailey, Raymond Lemke, Michael Desjarlais, Stephanie Hansen, I. Smith, Joseph Reneker, Dustin Romero, D. Sinars, Gregory Rochau, John Benage, (2015). X-ray Thomson scattering of shocked carbon foams on the Z accelerator https://www.osti.gov/servlets/purl/1257158 Publication ID: 43899

Marcus Knudson, Michael Desjarlais, Andreas Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, Ronald Redmer, (2015). Direct Observation of an Abrupt Insulator-to-Metal Transition in Dense Liquid Deuterium https://www.osti.gov/servlets/purl/1256548 Publication ID: 43720

Michael Desjarlais, (2015). Electrical and thermal conductivities for warm dense hydrogen from DFT/Kubo-Greenewood calculations https://www.osti.gov/servlets/purl/1256246 Publication ID: 43728

T. Mattsson, Marcus Knudson, Michael Desjarlais, A. Becker, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, R. Redmer, (2015). Dynamic compression experiments and first-principles simulations on liquid deuterium above the melt boundary to investigate the insulator-to-metal transition https://www.osti.gov/servlets/purl/1240328 Publication ID: 42283

Eric Harding, Tommy Ao, James Bailey, Luke Shulenburger, Christopher Seagle, D. Sinars, Gregory Rochau, Stephanie Hansen, Guillaume Loisel, Michael Desjarlais, Raymond Lemke, (2015). Results from Shock Foam XRTS on Z https://www.osti.gov/servlets/purl/1240109 Publication ID: 42238

Luke Shulenburger, Michael Desjarlais, T. Mattsson, (2014). Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo Physical Review B – Condensed Matter and Materials Physics https://doi.org/10.1103/PhysRevB.90.140104 Publication ID: 35985

Marcus Knudson, Michael Desjarlais, Raymond Lemke, (2014). Shock compression experiments on Lithium Deuteride single crystals https://doi.org/10.2172/1162374 Publication ID: 39169

Tommy Ao, Eric Harding, James Bailey, Michael Desjarlais, Stephanie Hansen, Raymond Lemke, D. Sinars, Gregory Rochau, I. Smith, Joseph Reneker, Dustin Romero, John Benage, Igor Golovkin, G Gregori, (2014). X-ray Thomson Scattering of Shocked carbon foam on the Z-accelerator https://www.osti.gov/servlets/purl/1503120 Publication ID: 38925

Marcus Knudson, Michael Desjarlais, Raymond Lemke, Kyle Cochrane, M. Savage, David Bliss, T. Mattsson, Andreas Becker, Ronald Redmer, (2014). Direct observation of an abrupt insulator-to-metal transition in dense liquid hydrogen Nature https://www.osti.gov/biblio/1184456 Publication ID: 38798

Marcus Knudson, Michael Desjarlais, T. Mattsson, (2014). Lithium Deuteride: First principles calculations and Z experiments https://www.osti.gov/servlets/purl/1502300 Publication ID: 38237

Andrew Baczewski, Luke Shulenburger, Michael Desjarlais, Rudolph Magyar, (2014). Dielectric Response in Extreme Conditions Using Time-Dependent Density Functional Theory https://www.osti.gov/servlets/purl/1497587 Publication ID: 38007

Stephanie Hansen, Michael Desjarlais, C Starrett, D. Saumon, A. Ng, V. Recoules, (2014). Consistency in atomic-scale calculations for strongly coupled systems https://www.osti.gov/servlets/purl/1497360 Publication ID: 37938

Luke Shulenburger, Seth Root, Raymond Lemke, D. Dolan, T. Mattsson, Michael Desjarlais, (2014). The phase diagram and transport properties of MgO from theory and experiment https://www.osti.gov/servlets/purl/1507905 Publication ID: 37410

Andrew Baczewski, Luke Shulenburger, Michael Desjarlais, Rudolph Magyar, (2014). Numerical implementation of time-dependent density functional theory for extended systems in extreme environments https://doi.org/10.2172/1204090 Publication ID: 36947

K. Cochrane, Tracy Vogler, Michael Desjarlais, T. Mattsson, (2014). Density Functional Theory (DFT) simulations of porous tantalum pentoxide Journal of Physics: Conference Series https://www.osti.gov/servlets/purl/1114583 Publication ID: 36224

Raymond Lemke, Marcus Knudson, Kyle Cochrane, Michael Desjarlais, J. Asay, (2014). On the scaling of the magnetically accelerated flyer plate technique to currents greater than 20 MA Journal of Physics: Conference Series https://doi.org/10.1088/1742-6596/500/15/152009 Publication ID: 35980

Eric Harding, Raymond Lemke, Tommy Ao, James Bailey, Stephanie Hansen, Michael Desjarlais, Matthias Geissel, D. Sinars, Gregory Rochau, (2013). X-ray Thomson Scattering Development for Z https://www.osti.gov/servlets/purl/1119787 Publication ID: 36618

Michael Desjarlais, (2013). First-principles calculation of entropy for liquid metals Physical Review E https://doi.org/10.1103/PhysRevE.88.062145 Publication ID: 36562

Martin French, Michael Desjarlais, Thomas Haill, T. Mattsson, (2013). Thermoelectric transport properties of warm dense molybdenum from first-principles simulations https://www.osti.gov/servlets/purl/1118165 Publication ID: 36585

Aurora Pribram-Jones, Michael Desjarlais, (2013). Aluminum Release Isentropes from Quantum Molecular Dynamics Simulations https://www.osti.gov/servlets/purl/1671992 Publication ID: 35748

Tommy Ao, Matthias Geissel, Joseph Reneker, Matthew Kernaghan, Eric Harding, James Bailey, Michael Desjarlais, Stephanie Hansen, Raymond Lemke, Gregory Rochau, D. Sinars, I. Smith, (2013). Progress toward x-ray Thomson scattering of warm dense matter on the Z accelerator Proceedings of the APS-SCCM&AIRAPT-24 Joint Conference 2013 https://www.osti.gov/biblio/1109052 Publication ID: 35526

Michael Desjarlais, Aidan Thompson, Geoff Brennecka, Matthew Marinella, (2013). Electrical conductivity in oxygen-deficient phases of transition metal oxides from first-principles calculations https://doi.org/10.2172/1096251 Publication ID: 35787

Allen Robinson, Sharon Petney, Richard Drake, V. Weirs, Brian Adams, Dena Vigil, John Carpenter, Christopher Garasi, Michael Wong, Joshua Robbins, Christopher Siefert, Otto Strack, Ann Wills, Timothy Trucano, Pavel Bochev, Randall Summers, James Stewart, Curtis Ober, William Rider, Thomas Haill, Raymond Lemke, Kyle Cochrane, Michael Desjarlais, Edward Love, Thomas Voth, Stewart Mosso, John Niederhaus, (2013). ALEGRA Update: Modernization and Resilience Progress https://www.osti.gov/servlets/purl/1115141 Publication ID: 35790

Kyle Cochrane, Michael Desjarlais, Luke Shulenburger, T. Mattsson, (2013). QMD simulations to develop EOS models https://www.osti.gov/servlets/purl/1140775 Publication ID: 35243

Tracy Vogler, Michael Desjarlais, T. Mattsson, (2013). Hugoniot Simulations of Porous Tantala https://www.osti.gov/servlets/purl/1113100 Publication ID: 34382

Tommy Ao, Matthias Geissel, Eric Harding, James Bailey, Michael Desjarlais, Stephanie Hansen, Raymond Lemke, D. Sinars, Gregory Rochau, (2013). X-ray Thomson scattering of warm dense matter on the Z-accelerator https://www.osti.gov/servlets/purl/1106361 Publication ID: 34417

Michael Desjarlais, (2013). First-principles entropy calculations for liquid metals and warm dense matter https://www.osti.gov/servlets/purl/1107029 Publication ID: 34501

Michael Desjarlais, (2013). First-principles simulations of warm dense matter https://www.osti.gov/servlets/purl/1115530 Publication ID: 34165

Luke Shulenburger, Seth Root, Michael Desjarlais, T. Mattsson, (2013). Ab initio transport properties of warm dense MgO https://www.osti.gov/servlets/purl/1106233 Publication ID: 34198

T. Mattsson, Michael Desjarlais, D. Dolan, Dawn Flicker, Marcus Knudson, Raymond Lemke, Seth Root, Christopher Seagle, Luke Shulenburger, (2013). From Z to Planets https://www.osti.gov/servlets/purl/1143864 Publication ID: 34292

Rudolph Magyar, Luke Shulenburger, Michael Desjarlais, (2013). Time-Dependent Density Functional Theory of Extreme Environments https://www.osti.gov/servlets/purl/1116008 Publication ID: 32657

Michael Desjarlais, (2012). First-principles entropy calculations for liquid metals https://www.osti.gov/biblio/1063382 Publication ID: 26431

Michael Desjarlais, Marcus Knudson, Aidan Thompson, James Lane, (2012). SNL and VNIITF VTC discussion of Be computational modeling https://www.osti.gov/servlets/purl/1658167 Publication ID: 26276

Tommy Ao, I. Smith, Matthias Geissel, Eric Harding, James Bailey, Stephanie Hansen, Adam Sefkow, Michael Desjarlais, Raymond Lemke, D. Sinars, Gregory Rochau, (2012). X-ray sources for x-ray Thomson scattering of warm dense matter on the Z-Accelerator https://www.osti.gov/servlets/purl/1111074 Publication ID: 30959

Tommy Ao, James Bailey, Stephanie Hansen, Michael Desjarlais, Matthias Geissel, I. Smith, D. Sinars, Raymond Lemke, (2012). Experimental Investigation of X-ray Sources for Use in X-ray Thomson Scattering (XRTS) https://www.osti.gov/biblio/1072482 Publication ID: 30888

Michael Desjarlais, (2012). First-principles entropy calculations for liquid metals https://www.osti.gov/servlets/purl/1116381 Publication ID: 29879

James Bailey, Tommy Ao, Eric Harding, Stephanie Hansen, Michael Desjarlais, Raymond Lemke, Gregory Rochau, Joseph Reneker, Dustin Romero, (2012). X-ray thomson scattering measurements of warm dense matter https://doi.org/10.2172/1055597 Publication ID: 30185

Tommy Ao, Eric Harding, James Bailey, D. Sinars, Stephanie Hansen, Michael Desjarlais, Raymond Lemke, Matthias Geissel, I. Smith, (2012). X-ray spectra of laser irradiated metal foils for x-ray Thomson scattering of warm dense matter on the Z-accelerator https://www.osti.gov/biblio/1064198 Publication ID: 28967

Kyle Cochrane, Michael Desjarlais, T. Mattsson, (2012). Density functional theory (DFT) simulations of polyethylene: Principal hugoniot, specific heats, compression and release isentropes AIP Conference Proceedings https://www.osti.gov/servlets/purl/1107032 Publication ID: 23885

Tommy Ao, James Bailey, Stephanie Hansen, Michael Desjarlais, D. Sinars, I. Smith, (2012). Experimental X-ray Spectra from Ti V Mn and Ni Foils Irradiated with the Z-Beamlet Laser https://www.osti.gov/servlets/purl/1111374 Publication ID: 28018

Luke Shulenburger, Seth Root, Kyle Cochrane, Michael Desjarlais, T. Mattsson, Dawn Flicker, (2012). Examination of the high pressure – temperature behavior of MgO by shock compression and first principles calculations https://www.osti.gov/biblio/1067595 Publication ID: 27764

M. Matzen, Michael Mazarakis, James Bailar, Michael Cuneo, Michael Desjarlais, Steve Glover, (2012). The Science Technology and Applications of Terawatt-Class Pulsed Power Drivers at Sandia National Laboratories https://www.osti.gov/servlets/purl/1120611 Publication ID: 27079

Tommy Ao, Eric Harding, James Bailey, D. Sinars, Michael Desjarlais, Stephanie Hansen, Raymond Lemke, I. Smith, (2012). X-ray spectra of Laser irradiated metal foils for x-ray Thomson scattering of warm dense matter on the Z-accelerator https://www.osti.gov/biblio/1069054 Publication ID: 26678

Tommy Ao, James Bailey, Stephanie Hansen, Michael Desjarlais, L. Mix, I. Smith, D. Sinars, (2011). Experimental X-ray Spectra from Ti V Mn and Ni Foils Irradiated with the Z-Beamlet Laser https://www.osti.gov/servlets/purl/1118395 Publication ID: 25450

Marcus Knudson, Michael Desjarlais, T. Mattsson, (2011). Probing the interiors of the ice giants: Shock compression of water to 700 GPa and 3.8g/cc Nature https://www.osti.gov/biblio/1106871 Publication ID: 24847

T. Mattsson, Marcus Knudson, Michael Desjarlais, (2011). Water from 10 &#197 to 10 Mm – understanding the structure of ice giants by first-principles simulations and shock experiments on Sandia’s Z machine https://www.osti.gov/servlets/purl/1106038 Publication ID: 24863

Patrick Knapp, D. Sinars, Michael Desjarlais, (2011). Cavitation and Hollow Foam-like Structure Formation in the Dense Core of Exploded Wire https://www.osti.gov/servlets/purl/1106169 Publication ID: 24644

Heath Hanshaw, Marcus Knudson, Matthew Martin, Michael Desjarlais, Raymond Lemke, (2011). Double Shock Experiments on the Sandia Z Machine https://www.osti.gov/biblio/1107034 Publication ID: 24533

Aidan Thompson, James Lane, Michael Desjarlais, (2011). Molecular dynamics simulation of dynamic response of beryllium APS Shock Compression of Condensed Matter https://www.osti.gov/biblio/1106249 Publication ID: 24090

Michael Desjarlais, (2011). XUV absorption in aluminum: First-principles opacity calculations https://www.osti.gov/servlets/purl/1106468 Publication ID: 23633

Marcus Knudson, Michael Desjarlais, (2011). Characterization of alpha-quartz for use as a highly accurate standard in multi-Mbar Hugoniot experiments https://www.osti.gov/servlets/purl/1106803 Publication ID: 23634

T. Mattsson, Michael Desjarlais, (2011). Density Functional Theory (DFT) simulations of polyethylene : https://www.osti.gov/servlets/purl/1288580 Publication ID: 23422

James Lane, Gary Grest, Aidan Thompson, Michael Desjarlais, T. Mattsson, (2011). Shock compression of dense polymer and foam systems using molecular dynamics and DFT https://www.osti.gov/servlets/purl/1140554 Publication ID: 23429

Tommy Ao, David Wenger, James Bailey, Michael Desjarlais, Stephanie Hansen, Marcus Knudson, Raymond Lemke, L. Mix, D. Sinars, I. Smith, (2011). X-ray Thomson scattering of warm dense matter on Z-accelerator https://www.osti.gov/servlets/purl/1290135 Publication ID: 23785

Stephanie Hansen, Michael Desjarlais, James Bailey, Eric Harding, Tommy Ao, (2011). X-ray Thomson scattering predictions from an average atom model https://www.osti.gov/servlets/purl/1120350 Publication ID: 23214

Tommy Ao, David Wenger, James Bailey, Michael Desjarlais, Stephanie Hansen, Marcus Knudson, Raymond Lemke, L. Mix, D. Sinars, I. Smith, (2011). Progress in X-ray Thomson Scattering of Warm Dense Matter on Z-Accelerator https://www.osti.gov/servlets/purl/1289698 Publication ID: 23239

T. Mattsson, Michael Desjarlais, Ann Wills, (2010). Density Functional Theory (DFT) research at Sandia National Laboratories: from exchange-correlation functionals to a broad range of applications https://www.osti.gov/servlets/purl/1673877 Publication ID: 21070

Seth Root, Marcus Knudson, Michael Desjarlais, T. Mattsson, (2010). Hugoniot Measurements on Quartz and Xenon to Extreme Pressures https://www.osti.gov/servlets/purl/1122475 Publication ID: 19713

Marcus Knudson, T. Mattsson, Michael Desjarlais, (2010). Hugoniot measurements on quartz and xenon to extreme pressures https://www.osti.gov/biblio/1021152 Publication ID: 18907

T. Mattsson, Michael Desjarlais, (2010). Water from 10 &#197 to 10 Mm – understanding the structure of ice giants by first-principles simulations https://www.osti.gov/servlets/purl/1681117 Publication ID: 18211

Mark Sears, Ann Wills, Michael Desjarlais, Normand Modine, Alan Wright, Richard Muller, (2010). Implementation of the Optimized Effective Potential (OEP) and Exact Exchange (EXX) in Socorro https://www.osti.gov/biblio/1018464 Publication ID: 18480

Marcus Knudson, Michael Desjarlais, (2009). Equation of state and transport property measurements of warm dense matter https://doi.org/10.2172/1001017 Publication ID: 16892

Marcus Knudson, Michael Desjarlais, (2009). Measurements of Multi-Megabar Quasi-Isentropes for Several Materials https://www.osti.gov/biblio/1142205 Publication ID: 16432

R. Lemke, D. Sinars, E. Waisman, Michael Cuneo, E. Yu, Thomas Haill, Heath Hanshaw, Thomas Brunner, C. Jennings, W. Stygar, Michael Desjarlais, Thomas Mehlhorn, J. Porter, (2009). Effects of mass ablation on the scaling of X-ray power with current in wire-array Z pinches Physical Review Letters https://www.osti.gov/biblio/1142826 Publication ID: 14484

Edmund Yu, Michael Cuneo, Michael Desjarlais, Raymond Lemke, D. Sinars, Thomas Haill, E. Waisman, G. Bennett, C. Jennings, T. Mehlhorn, T. Brunner, H. Hanshaw, J. Porter, W. Stygar, L. Rudakov, (2008). Three-dimensional effects in trailing mass in the wire-array Z pinch Physics of Plasmas https://www.osti.gov/servlets/purl/1147466 Publication ID: 12050

Raymond Lemke, D. Sinars, Edmund Yu, Thomas Haill, Thomas Brunner, Heath Hanshaw, Michael Cuneo, Michael Desjarlais, Thomas Mehlhorn, (2008). On the validation of a 3D inflow model for simulating wire array Z-pinches, Z-pinch energetics, and scaling of radiated power with current https://www.osti.gov/servlets/purl/1272361 Publication ID: 13910

T. Mattsson, Michael Desjarlais, Marcus Knudson, (2008). Theory of recent observations in Be on melt on Z https://www.osti.gov/servlets/purl/1144886 Publication ID: 13615