Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure von Brant, Jacilynn A, Massi, Danielle M, Holzwarth, N. A. W, MacNeil, Joseph H, Douvalis, Alexios P, Bakas, Thomas, Martin, Steve W, Gross, Michael D, Aitken, Jennifer A

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Modeling interfaces between solids: Application to Li battery materials von Lepley, N. D., Holzwarth, N. A. W.

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Continuity of phonon dispersion curves in layered ionic materials von Li, Yan, Kerr, W C, Holzwarth, N A W

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Computer modeling of lithium phosphate and thiophosphate electrolyte materials von Holzwarth, N.A.W., Lepley, N.D., Du, Yaojun A.

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Computer Modeling of Crystalline Electrolytes: Lithium Thiophosphates and Phosphates von Lepley, N. D., Holzwarth, N. A. W.

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Cu2ZnSnSxO4−x and Cu2ZnSnSxSe4−x: First principles simulations of optimal alloy configurations and their energies von Dun Chaochao, Holzwarth N A W, Li, Yuan, Huang Wenxiao, Carroll, David L

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Adaptation of the projector-augmented-wave formalism to the treatment of orbital-dependent exchange-correlation functionals von Xu, Xiao, Holzwarth, N A. W.

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Updated comments on projector augmented wave (PAW) implementations within various electronic structure code packages von Holzwarth, N.A.W.

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Li14P2O3N6 and Li7PN4: Computational study of two nitrogen rich crystalline LiPON electrolyte materials von Al-Qawasmeh, Ahmad, Holzwarth, N.A.W.

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A new crystalline LiPON electrolyte: Synthesis, properties, and electronic structure von Senevirathne, Keerthi, Day, Cynthia S., Gross, Michael D., Lachgar, Abdessadek, Holzwarth, N.A.W.

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Structural and electrolyte properties of Li4P2S6 von Hood, Zachary D., Kates, Cameron, Kirkham, Melanie, Adhikari, Shiba, Liang, Chengdu, Holzwarth, N.A.W.

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Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids von Holzwarth, N. A. W., Matthews, G. E., Dunning, R. B., Tackett, A. R., Zeng, Y.

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Analysis of the statistical and convergence properties of ionic transport coefficients with application to the solid electrolyte Li2OHCl von Howard, Jason David, Holzwarth, N.A.W.

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Erratum: First-principles simulations of Li boracites Li 4 B 7 O 12 Cl and Li 5 B 7 O 12.5 Cl [Phys. Rev. Materials 6 , 025401 (2022)] von Li, Yan, Holzwarth, N. A. W.

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Computational Investigation of the Electrolyte Properties of Li12P3N9 and Its High Pressure Polymorph Li4PN3 through First-Principles Simulations von Al-Qawasmeh, Ahmad, Obeidat, Abdalla, Shukri, Abdullah Atef, Holzwarth, N. A. W.

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EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications von Sarkar, Kanchan, Holzwarth, N.A.W., Wentzcovitch, R.M.

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Reproducibility in density functional theory calculations of solids von Lejaeghere, Kurt, Bihlmayer, Gustav, Björkman, Torbjörn, Blaha, Peter, Blügel, Stefan, Blum, Volker, Caliste, Damien, Castelli, Ivano E., Clark, Stewart J., Dal Corso, Andrea, de Gironcoli, Stefano, Deutsch, Thierry, Dewhurst, John Kay, Di Marco, Igor, Draxl, Claudia, Dułak, Marcin, Eriksson, Olle, Flores-Livas, José A., Garrity, Kevin F., Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Goedecker, Stefan, Gonze, Xavier, Grånäs, Oscar, Gross, E. K. U., Gulans, Andris, Gygi, François, Hamann, D. R., Hasnip, Phil J., Holzwarth, N. A. W., Iuşan, Diana, Jochym, Dominik B., Jollet, François, Jones, Daniel, Kresse, Georg, Koepernik, Klaus, Küçükbenli, Emine, Kvashnin, Yaroslav O., Locht, Inka L. M., Lubeck, Sven, Marsman, Martijn, Marzari, Nicola, Nitzsche, Ulrike, Nordström, Lars, Ozaki, Taisuke, Paulatto, Lorenzo, Pickard, Chris J., Poelmans, Ward, Probert, Matt I. J., Refson, Keith, Richter, Manuel, Rignanese, Gian-Marco, Saha, Santanu, Scheffler, Matthias, Schlipf, Martin, Schwarz, Karlheinz, Sharma, Sangeeta, Tavazza, Francesca, Thunström, Patrik, Tkatchenko, Alexandre, Torrent, Marc, Vanderbilt, David, van Setten, Michiel J., Van Speybroeck, Veronique, Wills, John M., Yates, Jonathan R., Zhang, Guo-Xu, Cottenier, Stefaan

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Computational Study of Li Ion Electrolytes Composed of Li3AsS4 Alloyed with Li4GeS4 von Al-Qawasmeh, Ahmad, Holzwarth, N. A. W.

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First principles investigation of the structural and electrochemical properties of Na4P2S6 and Li4P2S6 von Rush, Larry E., Holzwarth, N.A.W.

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First-principles study of LiPON and related solid electrolytes von Du, Yaojun A., Holzwarth, N. A. W.

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