Andreas Hauser

Assoc.Prof. Mag.phil. Dipl.-Ing. Dr.phil. Dr.techn.

1995 …2021

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Austrian Fields of Study 2012 (6-stellig)

  • 103006 Chemical physics
  • 104017 Physical chemistry
  • 104022 Theoretical chemistry
  • 210004 Nanomaterials
  • 103018 Materials physics
  • 103025 Quantum mechanics
  • 104010 Macromolecular chemistry
  • 103036 Theoretical physics

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  • A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet

    Castillo-García, A., Hauser, A. W., de Lara-Castells, M. P. & Villarreal, P., 1 Oct 2021, In: Molecules . 26, 19, 20 p., 5783.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory

    Ernst, W. E. & Hauser, A. W., 7 Apr 2021, In: Physical Chemistry, Chemical Physics. 23, 13, p. 7553-7574 22 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
  • Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu5 Clusters

    Mitrushchenkov, A. O., Zanchet, A., Hauser, A. W. & de Lara-Castells, M. P., 21 Oct 2021, In: The Journal of Physical Chemistry A. 125, 41, p. 9143-9150 8 p.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Epifanovsky, E., Gilbert, A. T. B., Feng, X., Lee, J., Mao, Y., Mardirossian, N., Pokhilko, P., White, A. F., Coons, M. P., Dempwolff, A. L., Gan, Z., Hait, D., Horn, P. R., Jacobson, L. D., Kaliman, I., Kussmann, J., Lange, A. W., Lao, K. U., Levine, D. S., Liu, J. & 200 others, McKenzie, S. C., Morrison, A. F., Nanda, K. D., Plasser, F., Rehn, D. R., Vidal, M. L., You, Z-Q., Zhu, Y., Alam, B., Albrecht, B. J., Aldossary, A., Alguire, E., Andersen, J. H., Athavale, V., Barton, D., Begam, K., Behn, A., Bellonzi, N., Bernard, Y. A., Berquist, E. J., Burton, H. G. A., Carreras, A., Carter-Fenk, K., Chakraborty, R., Chien, A. D., Closser, K. D., Cofer-Shabica, V., Dasgupta, S., de Wergifosse, M., Deng, J., Diedenhofen, M., Do, H., Ehlert, S., Fang, P-T., Fatehi, S., Feng, Q., Friedhoff, T., Gayvert, J., Ge, Q., Gidofalvi, G., Goldey, M., Gomes, J., González-Espinoza, C. E., Gulania, S., Gunina, A. O., Hanson-Heine, M. W. D., Harbach, P. H. P., Hauser, A., Herbst, M. F., Hernández Vera, M., Hodecker, M., Holden, Z. C., Houck, S., Huang, X., Hui, K., Huynh, B. C., Ivanov, M., Jász, Á., Ji, H., Jiang, H., Kaduk, B., Kähler, S., Khistyaev, K., Kim, J., Kis, G., Klunzinger, P., Koczor-Benda, Z., Koh, J. H., Kosenkov, D., Koulias, L., Kowalczyk, T., Krauter, C. M., Kue, K., Kunitsa, A., Kus, T., Ladjánszki, I., Landau, A., Lawler, K. V., Lefrancois, D., Lehtola, S., Li, R. R., Li, Y-P., Liang, J., Liebenthal, M., Lin, H-H., Lin, Y-S., Liu, F., Liu, K-Y., Loipersberger, M., Luenser, A., Manjanath, A., Manohar, P., Mansoor, E., Manzer, S. F., Mao, S-P., Marenich, A. V., Markovich, T., Mason, S., Maurer, S. A., McLaughlin, P. F., Menger, M. F. S. J., Mewes, J-M., Mewes, S. A., Morgante, P., Mullinax, J. W., Oosterbaan, K. J., Paran, G., Paul, A. C., Paul, S. K., Pavošević, F., Pei, Z., Prager, S., Proynov, E. I., Rák, Á., Ramos-Cordoba, E., Rana, B., Rask, A. E., Rettig, A., Richard, R. M., Rob, F., Rossomme, E., Scheele, T., Scheurer, M., Schneider, M., Sergueev, N., Sharada, S. M., Skomorowski, W., Small, D. W., Stein, C. J., Su, Y-C., Sundstrom, E. J., Tao, Z., Thirman, J., Tornai, G. J., Tsuchimochi, T., Tubman, N. M., Veccham, S. P., Vydrov, O., Wenzel, J., Witte, J., Yamada, A., Yao, K., Yeganeh, S., Yost, S. R., Zech, A., Zhang, I. Y., Zhang, X., Zhang, Y., Zuev, D., Aspuru-Guzik, A., Bell, A. T., Besley, N. A., Bravaya, K. B., Brooks, B. R., Casanova, D., Chai, J-D., Coriani, S., Cramer, C. J., Cserey, G., DePrince, A. E., DiStasio, R. A., Dreuw, A., Dunietz, B. D., Furlani, T. R., Goddard, W. A., Hammes-Schiffer, S., Head-Gordon, T., Hehre, W. J., Hsu, C-P., Jagau, T-C., Jung, Y., Klamt, A., Kong, J., Lambrecht, D. S., Liang, W., Mayhall, N. J., McCurdy, C. W., Neaton, J. B., Ochsenfeld, C., Parkhill, J. A., Peverati, R., Rassolov, V. A., Shao, Y., Slipchenko, L. V., Stauch, T., Steele, R. P., Subotnik, J. E., Thom, A. J. W., Tkatchenko, A., Truhlar, D. G., Van Voorhis, T., Wesolowski, T. A., Whaley, K. B., Woodcock, H. L., Zimmerman, P. M., Faraji, S., Gill, P. M. W., Head-Gordon, M., Herbert, J. M. & Krylov, A. I., 28 Aug 2021, In: The Journal of Chemical Physics. 155, 8, 59 p., 084801.

    Research output: Contribution to journalArticlepeer-review

    Open Access
  • Geometry optimization using Gaussian process regression in internal coordinate systems

    Meyer, R. & Hauser, A. W., 28 Feb 2020, In: The Journal of Chemical Physics. 152, 8, 084112.

    Research output: Contribution to journalArticlepeer-review