Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions von Schütt, K. T., Gastegger, M., Tkatchenko, A., Müller, K.-R., Maurer, R. J.

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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations von Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitrică, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-z., Frauenheim, T.

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A deep neural network for molecular wave functions in quasi-atomic minimal basis representation von Gastegger, M., McSloy, A., Luya, M., Schütt, K. T., Maurer, R. J.

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Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory von Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., Rossi, M.

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Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications von Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., Rossi, M.

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Roadmap on Machine learning in electronic structure von Kulik, H J, Hammerschmidt, T, Schmidt, J, Botti, S, Marques, M A L, Boley, M, Scheffler, M, Todorović, M, Rinke, P, Oses, C, Smolyanyuk, A, Curtarolo, S, Tkatchenko, A, Bartók, A P, Manzhos, S, Ihara, M, Carrington, T, Behler, J, Isayev, O, Veit, M, Grisafi, A, Nigam, J, Ceriotti, M, Schütt, K T, Westermayr, J, Gastegger, M, Maurer, R J, Kalita, B, Burke, K, Nagai, R, Akashi, R, Sugino, O, Hermann, J, Noé, F, Pilati, S, Draxl, C, Kuban, M, Rigamonti, S, Scheidgen, M, Esters, M, Hicks, D, Toher, C, Balachandran, P V, Tamblyn, I, Whitelam, S, Bellinger, C, Ghiringhelli, L M

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Donor–Acceptor Co-Adsorption Ratio Controls the Structure and Electronic Properties of Two-Dimensional Alkali–Organic Networks on Ag(100) von Sohail, B., Blowey, P. J., Rochford, L. A., Ryan, P. T. P., Duncan, D. A., Lee, T.-L., Starrs, P., Costantini, G., Woodruff, D. P., Maurer, R. J.

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The Structure of VOPc on Cu(111): Does VO Point Up, or Down, or Both? von Blowey, P.J, Maurer, R.J, Rochford, L.A, Duncan, D.A, Kang, J.-H, Warr, D.A, Ramadan, A.J, Lee, T.-L, Thakur, P.K, Costantini, G, Reuter, K, Woodruff, D.P

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Cytomegalovirus Infection Is a Risk Factor for Invasive Aspergillosis in Lung Transplant Recipients von Husni, Rola N., Gordon, Steven M., Longworth, David L., Arroliga, Alejandro, Stillwell, Paul C., Avery, Robin K., Maurer, Janet R., Mehta, Atul, Kirby, Thomas

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Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)] von Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitrică, T., Dominguez, A., Ehlert, S., Elstner, M., van der Heide, T., Hermann, J., Irle, S., Jakowski, J., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Řezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-z., Frauenheim, T.

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Thiolate-Bonded Self-Assembled Monolayers on Ni(111): Bonding Strength, Structure, and Stability von Blobner, F, Abufager, P. N, Han, R, Bauer, J, Duncan, D. A, Maurer, R. J, Reuter, K, Feulner, P, Allegretti, F

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Pseudomonas cepacia in Lung Transplant Recipients With Cystic Fibrosis von Snell, Gregory I., de Hoyos, Alberto, Krajden, Mel, Winton, Timothy, Maurer, Janet R.

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Infectious Complications following Isolated Lung Transplantation von Maurer, Janet R., Tullis, D. Elizabeth, Grossman, Ronald F., Vellend, Hillar, Winton, Timothy L., Patterson, G. Alexander

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The humoral immune response to influenza vaccination in lung transplant patients von Mazzone, P.J, Mossad, S.B, Mawhorter, S.D, Mehta, A.C, Schilz, R.J, Maurer, J.R

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Pleural complications in lung transplant recipients von Herridge, M.S., de Hoyos, A.L., Chaparro, C., Winton, T.L., Kesten, S., Maurer, J.R.

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International guidelines for the selection of lung transplant candidates von MAURER, J. R, FROST, A. E, ESTENNE, M, HIGENBOTTAM, T, GLANVILLE, A. R

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Native lung pneumonectomy for invasive pulmonary aspergillosis following lung transplantation: a case report von Sandur, S, Gordon, S.M, Mehta, A.C, Maurer, J.R

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Aspergillus infection in single and double lung transplant recipients von WESTNEY, G. E, KESTEN, S, DE HOYOS, A, CHAPPARO, C, WINTON, T, MAURER, J. R

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Patient Selection for Lung Transplantation von Maurer, Janet R

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Preoperative prediction for the use of cardiopulmonary bypass in lung transplantation von Hoyos, Alberto de, Demajo, Wilfred, Snell, Gregory, Miller, John, Winton, Timothy, Maurer, Janet R., Alexander Patterson, G.

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