Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions von Lindsey, Rebecca K., Goldman, Nir, Fried, Laurence E., Bastea, Sorin

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Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials von Goldman, Nir, Fried, Laurence E., Lindsey, Rebecca K., Pham, C. Huy, Dettori, R.

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Ultrafast shock synthesis of nanocarbon from a liquid precursor von Armstrong, Michael R., Lindsey, Rebecca K., Goldman, Nir, Nielsen, Michael H., Stavrou, Elissaios, Fried, Laurence E., Zaug, Joseph M., Bastea, Sorin

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Semi-Automated Creation of Density Functional Tight Binding Models through Leveraging Chebyshev Polynomial-Based Force Fields von Goldman, Nir, Kweon, Kyoung E, Sadigh, Babak, Heo, Tae Wook, Lindsey, Rebecca K, Pham, C. Huy, Fried, Laurence E, Aradi, Bálint, Holliday, Kiel, Jeffries, Jason R, Wood, Brandon C

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Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure von Manaa, M. Riad, Fried, Laurence E

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Extending the Density Functional Tight Binding Method to Carbon Under Extreme Conditions von Goldman, Nir, Fried, Laurence E

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High Explosive Ignition through Chemically Activated Nanoscale Shear Bands von Kroonblawd, Matthew P., Fried, Laurence E.

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Atomistic simulations of spinodal phase separation preceding polymer crystallization von Gee, Richard H, Lacevic, Naida, Fried, Laurence E

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A method for tractable dynamical studies of single and double shock compression von Reed, Evan J, Fried, Laurence E, Joannopoulos, J D

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Ab initio simulation of the equation of state and kinetics of shocked water von Goldman, Nir, Reed, Evan J., Kuo, I.-F. William, Fried, Laurence E., Mundy, Christopher J., Curioni, Alessandro

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Ultrafast detonation of hydrazoic acid (HN3) von Reed, Evan J, Rodriguez, Alejandro W, Manaa, M Riad, Fried, Laurence E, Tarver, Craig M

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ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon von Lindsey, Rebecca K, Fried, Laurence E, Goldman, Nir

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Dynamic ionization of water under extreme conditions von GONCHAROV, Alexander F, GOLDMAN, Nir, FRIED, Laurence E, CROWHURST, Jonathan C, KUO, I-Feng W, MUNDY, Christopher J, ZAUG, Joseph M

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Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO2 von Goldman, Nir, Zepeda-Ruiz, Luis, Mullen, Ryan G., Lindsey, Rebecca K., Pham, C. Huy, Fried, Laurence E., Belof, Jonathan L.

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Direct numerical simulation of shear localization and decomposition reactions in shock-loaded HMX crystal von Austin, Ryan A., Barton, Nathan R., Reaugh, John E., Fried, Laurence E.

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Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression von Mundy, Christopher J, Curioni, Alessandro, Goldman, Nir, Will Kuo, I-F, Reed, Evan J, Fried, Laurence E, Ianuzzi, Marcella

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High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set von Pham, Cong Huy, Lindsey, Rebecca K, Fried, Laurence E, Goldman, Nir

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Active learning for robust, high-complexity reactive atomistic simulations von Lindsey, Rebecca K., Fried, Laurence E., Goldman, Nir, Bastea, Sorin

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Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model von Lindsey, Rebecca K., Bastea, Sorin, Goldman, Nir, Fried, Laurence E.

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Using Force Matching To Determine Reactive Force Fields for Water under Extreme Thermodynamic Conditions von Koziol, Lucas, Fried, Laurence E, Goldman, Nir

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