Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways von Mathew, Kiran, Sundararaman, Ravishankar, Letchworth-Weaver, Kendra, Arias, T A, Hennig, Richard G

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Single-Crystal Alkali Antimonide Photocathodes: High Efficiency in the Ultrathin Limit von Parzyck, C T, Galdi, A, Nangoi, J K, DeBenedetti, W J I, Balajka, J, Faeth, B D, Paik, H, Hu, C, Arias, T A, Hines, M A, Schlom, D G, Shen, K M, Maxson, J M

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Electron−Phonon Scattering in Metallic Single-Walled Carbon Nanotubes von Park, Ji-Yong, Rosenblatt, Sami, Yaish, Yuval, Sazonova, Vera, Üstünel, Hande, Braig, Stephan, Arias, T. A, Brouwer, Piet W, McEuen, Paul L

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Density-functional fluctuation theory of crowds von Méndez-Valderrama, J. Felipe, Kinkhabwala, Yunus A., Silver, Jeffrey, Cohen, Itai, Arias, T. A.

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A computationally efficacious free-energy functional for studies of inhomogeneous liquid water von Sundararaman, Ravishankar, Letchworth-Weaver, Kendra, Arias, T A

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Joint Density-Functional Theory:  Ab Initio Study of Cr2O3 Surface Chemistry in Solution von Petrosyan, S. A, Rigos, A. A, Arias, T. A

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Classical Density-Functional Theory of Inhomogeneous Water Including Explicit Molecular Structure and Nonlinear Dielectric Response von Lischner, Johannes, Arias, T. A

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Modeling a Suspended Nanotube Oscillator von Üstünel, H., Roundy, D., Arias, T. A.

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JDFTx: Software for joint density-functional theory von Sundararaman, Ravishankar, Letchworth-Weaver, Kendra, Schwarz, Kathleen A., Gunceler, Deniz, Ozhabes, Yalcin, Arias, T.A.

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The importance of nonlinear fluid response in joint density-functional theory studies of battery systems von Gunceler, Deniz, Letchworth-Weaver, Kendra, Sundararaman, Ravishankar, Schwarz, Kathleen A, Arias, T A

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Efficient classical density-functional theories of rigid-molecular fluids and a simplified free energy functional for liquid water von Sundararaman, Ravishankar, Arias, T.A.

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Spicing up continuum solvation models with SaLSA: the spherically averaged liquid susceptibility ansatz von Sundararaman, Ravishankar, Schwarz, Kathleen A, Letchworth-Weaver, Kendra, Arias, T A

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Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models von Sundararaman, Ravishankar, Gunceler, Deniz, Arias, T A

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A recipe for free-energy functionals of polarizable molecular fluids von Sundararaman, Ravishankar, Letchworth-Weaver, Kendra, Arias, T A

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Towards a generalized iso-density continuum model for molecular solvents in plane-wave DFT von Gunceler, Deniz, Arias, T A

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Computationally efficient dielectric calculations of molecular crystals von Schwarz, Kathleen A, Sundararaman, Ravishankar, Arias, T A

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Atomically smooth films of CsSb: A chemically robust visible light photocathode von Parzyck, C. T., Pennington, C. A., DeBenedetti, W. J. I., Balajka, J., Echeverria, E. M., Paik, H., Moreschini, L., Faeth, B. D., Hu, C., Nangoi, J. K., Anil, V., Arias, T. A., Hines, M. A., Schlom, D. G., Galdi, A., Shen, K. M., Maxson, J. M.

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A Ubiquitous Model of Emotional Tracking in Virtual Classes: From Simple Emotions to Learning Action Tendency von Arias T., Susana A., Moreno-Ger, Pablo, Verdu, Elena

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Solvation Effects on Kinetics of Methylene Chloride Reactions in Sub- and Supercritical Water:  Theory, Experiment, and Ab Initio Calculations von Marrone, P. A, Arias, T. A, Peters, W. A, Tester, J. W

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Accurate hyperfine couplings for C59N von Csányi, Gábor, Arias, T.A

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