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Author

  • Andreas Hauser
2016

Nanoporous Graphene Sheets for Gas Separation

Hauser, A. & Schwerdtfeger, P., 2016, Graphene Science Handbook: Mechanical and Chemical Properties. CRC Press Taylor & Francis Group, Vol. 4. p. 477-490 14 p.

Research output: Chapter in Book/Report/Conference proceedingChapterResearchpeer-review

Chiral separation via two-dimensional, porous nanostructures

Frühwirth, S. M. & Hauser, A., 29 Sep 2016, p. 206-207.

Research output: Contribution to conferenceAbstractResearchpeer-review

2018

Theoretical insights into the oxidation of subnanometer-sized Cu5 clusters

Zachnet, A., Mitrushchenkov, O., Hauser, A. & De Lara-Castells, M. P., Dec 2018.

Research output: Contribution to conferenceAbstractResearch

2019

Increasing the optical response of TiO2 and extending it into the visible region through surface activation with highly stable Cu5 clusters

Pilar de Lara-Castells, M., Hauser, A. W., Ramallo-López, J. M., Buceta, D., Giovanetti, L. J., López-Quintela, M. A. & Requejo, F. G., 1 Jan 2019, In : Journal of Materials Chemistry A. 7, 13, p. 7489-7500 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2018

A neural network based approach to SCF initial guesses

Cartus, J. J., Meyer, R. & Hauser, A., Jun 2018, p. 50. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

Transition state search accelerated with machine learning algorithms

Schmuck, K. & Hauser, A., Jun 2018, p. 76. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

2017

In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017, ASEM. p. 47

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearch

2019

Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions

Lasserus, M., Schnedlitz, M., Messner, R., Lackner, F., Ernst, W. E. & Hauser, A. W., 28 Mar 2019, In : Chemical Science. 10, 12, p. 3473-3480 8 p.

Research output: Contribution to journalArticleResearchpeer-review

2017

Thermally induced breakup of metallic nanowires: Experiment and theory

Schnedlitz, M., Lasserus, M., Knez, D., Hauser, A. W., Hofer, F. & Ernst, W. E., 2017, In : Physical chemistry, chemical physics. 19, 14, p. 9402-9408 7 p.

Research output: Contribution to journalArticleResearchpeer-review

2018
2019

Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles

Schnedlitz, M., Fernandez-Perea, R., Knez, D., Lasserus, M., Schiffmann, A., Hofer, F., Hauser, A. W., De Lara-Castells, M. P. & Ernst, W. E., 15 Aug 2019, In : Journal of Physical Chemistry C. 123, 32, p. 20037-20043 7 p.

Research output: Contribution to journalArticleResearchpeer-review

2017

A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles

Hauser, A. W., Schnedlitz, M. & Ernst, W. E., 1 Jun 2017, In : The European physical journal / D. 71, 6, 150.

Research output: Contribution to journalArticleResearchpeer-review

2018

Femtosecond photoexcitation dynamics inside a quantum solvent

Thaler, B., Ranftl, S., Heim, P., Cesnik, S., Treiber, L., Meyer, R., Hauser, A. W., Ernst, W. E. & Koch, M., 1 Dec 2018, In : Nature Communications. 9, 1, 4006.

Research output: Contribution to journalArticleResearchpeer-review

2019

Hot thermal spin-orbit population of 2P atoms conserved in a cold quantum fluid environment

Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A., Koch, M. & Ernst, W. E., Feb 2019, p. 1.

Research output: Contribution to conferenceAbstractResearchpeer-review

2012

Methane-selective nanoporous graphene membranes for gas purification

Hauser, A. & Schwerdtfeger, P., 14 Oct 2012, In : Physical chemistry, chemical physics. 14, 38, p. 13292-13298 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Rydberg states of alkali atoms on superfluid helium nanodroplets: Inside or outside?

Pototschnig, J. V., Lackner, F., Hauser, A. W. & Ernst, W. E., 16 May 2017, In : Physical chemistry, chemical physics. 19, 22, p. 14718-14728 11 p.

Research output: Contribution to journalArticleResearchpeer-review

2016

Molecular dynamics simulations of experimentally observed diffusion processes on the surface of metallic nanowires

Schnedlitz, M., Hauser, A., Lasserus, M. I., Knez, D., VOLK, A., Hofer, F. & Ernst, W. E., Sep 2016, p. 201. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

2014

Chromium on superfluid Helium nanodroplets: Theoretical investigation of the ground state and selected excited states

Ratschek, M., Pototschnig, J. V., Hauser, A. & Ernst, W., 2014, 64. Jahrestagung der Österreichischen Physikalischen Gesellschaft / Echophysics-Pöllau. ., p. 17-17

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearch

2015

Spectroscopic accuracy in quantum chemistry: a benchmark study on Na3

Hauser, A., Pototschnig, J. V. & Ernst, W., 2015, ISMS / 70th International Symposium on Molecular Spectroscopy. ., p. 217-217

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

2016

Alkali-Alkaline Earth Diatomics: Molecules for Ultracold Physics

Lackner, F., Pototschnig, J. V., Hauser, A. & Ernst, W. E., 22 Aug 2016, p. 5.

Research output: Contribution to conferenceAbstractResearchpeer-review

Vortex Assisted Growth of Metallic Nanowires in Superfluid Helium Droplets

VOLK, A., Thaler, P., Hauser, A., Knez, D., Grogger, W., Hofer, F. & Ernst, W. E., 6 Mar 2016.

Research output: Contribution to conferenceAbstractResearchpeer-review

2014

An ab initio study of the CrHe diatomic molecule: The effect of van der Waals distortion on a highly magnetic multi-electron system

Pototschnig, J. V., Ratschek, M., Hauser, A. & Ernst, W., 2014, In : Physical chemistry, chemical physics. 16, p. 9469-9478

Research output: Contribution to journalArticleResearchpeer-review

2015

Vortex Assisted Growth of Metallic Nanowires in Superfluid Helium Droplets

Volk, A., Thaler, P., Hauser, A., Knez, D., Grogger, W., Hofer, F. & Ernst, W., 2 Sep 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

2017

Rydberg states of alkali atoms on helium droplets: electrons in a Coulomb potential shielded by a superfluid dielectric

Hauser, A., Pototschnig, J. V., Lackner, F. & Ernst, W. E., Aug 2017, p. 39.

Research output: Contribution to conferenceAbstractResearchpeer-review

2015

Helium droplets as nanolabs for cluster growth and ultracold chemistry

Hauser, A. & Ernst, W., 27 Aug 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Thermal instabilities and Rayleigh breakup of ultrathin silver nanowires grown in helium nanodroplets

Volk, A., Knez, D., Thaler, P., Hauser, A., Grogger, W., Hofer, F. & Ernst, W., 2015, In : Physical chemistry, chemical physics. 17, p. 24570-24575

Research output: Contribution to journalArticleResearchpeer-review

2017

Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes

Hauser, A. W., Mitrushchenkov, A. O. & De Lara-Castells, M. P., 23 Feb 2017, In : Journal of Physical Chemistry C. 121, 7, p. 3807-3821 15 p.

Research output: Contribution to journalArticleResearchpeer-review

2011

High-Spin States of Heavy Alkali Trimers

Auböck, G., Hauser, A. & Ernst, W., 2011, Gemeinsame Jahrestagung der Schweizerischen und Österreichischen Physikalischen Gesellschaft. ., p. 125-125

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

2017

In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., Aug 2017, p. 582.

Research output: Contribution to conferenceAbstractResearchpeer-review

Influence of spin-orbit quenching on the solvation of indium in helium droplets

Meyer, R., Pototschnig, J. V., Ernst, W. E. & Hauser, A., Jun 2017.

Research output: Contribution to conferenceAbstractResearchpeer-review

Neural network based embedded atom model potentials for metallic nanoparticles

Meyer, R., Ernst, W. E. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 27

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

To be or not to be alloyed: The unexpected behaviour of Ni-Au and Co-Au core-shell nanoparticles upon heating

Schnedlitz, M., Knez, D., Meyer, R., Lasserus, M. I., Messner, R., Schiffmann, A., Lackner, F., Hauser, A., Hofer, F. & Ernst, W. E., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 82

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

2014

Novel materials for alkane dehydrogenation: A systematic study on Pt based, subnanometer-sized alloy cluster catalysts

Hauser, A., Head-Gordon, M. & Bell, A. T., 12 Aug 2014.

Research output: Contribution to conferenceAbstractResearchpeer-review

Chiral resolution via single-atom-thick membranes: A new concept demonstrated on functionalized nanoporous graphene

Hauser, A., Head-Gordon, M., Bell, A. T. & Schwerdtfeger, P., Aug 2014.

Research output: Contribution to conferenceAbstractResearchpeer-review

2011

Nanoporous graphene – a two-dimensional membrane for efficient 3He/4He separation

Hauser, A. & Schwerdtfeger, P., Dec 2011, p. 27.

Research output: Contribution to conferenceAbstractResearchpeer-review

2019

On the Stability of Cu5 Catalysts in Air Using Multireference Perturbation Theory

Zanchet, A., López-Caballero, P., Mitrushchenkov, A. O., Buceta, D., López-Quintela, M. A., Hauser, A. W. & Pilar De Lara-Castells, M., 7 Nov 2019, In : Journal of Physical Chemistry C. 123, 44, p. 27064-27072 9 p.

Research output: Contribution to journalArticleResearchpeer-review

2015

Ethane and propane dehydrogenation over PtIr/Mg(Al)O

Wu, J., Mallikarjun Sharada, S., Ho, C., Hauser, A., Head-Gordon, M. & Bell, A. T., 5 Oct 2015, In : Applied Catalysis / A. 506, p. 25-32 8 p.

Research output: Contribution to journalArticleResearchpeer-review

2019

Exploring the Catalytic Properties of Unsupported and TiO2-Supported Cu5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation

López-Caballero, P., Hauser, A. W. & Pilar De Lara-Castells, M., 19 Sep 2019, In : Journal of Physical Chemistry C. 123, 37, p. 23064-23074 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2016

A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: Effects of intermetallic interaction

Hauser, A., Horn, P. R., Head-Gordon, M. & Bell, A. T., 28 Apr 2016, In : Physical chemistry, chemical physics. 18, 16, p. 10906-10917 12 p.

Research output: Contribution to journalArticleResearchpeer-review

2013

Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes

Hauser, A., Gomes, J., Bajdich, M., Head-Gordon, M. & Bell, A. T., 21 Dec 2013, In : Physical chemistry, chemical physics. 15, 47, p. 20727-20734 8 p.

Research output: Contribution to journalArticleResearchpeer-review

2019

On the passivation of iron particles at the nanoscale

Lasserus, M., Knez, D., Schnedlitz, M., Hauser, A. W., Hofer, F. & Ernst, W. E., 1 Jan 2019, In : Nanoscale Advances. 1, 6, p. 2276-2283 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2012

The Jahn-Teller effect and spin-orbit coupling in alkali trimers: Spectroscopic experiments and ab initio calculations

Hauser, A., Callegari, C. & Ernst, W. E., 1 Dec 2012, International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009. Vol. 1504. p. 483-486 4 p.

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

2016
2011

Rotational spectrum of the molecular ion NH+ as a probe for α and me/mp variation

Beloy, K., Kozlov, M. G., Borschevsky, A., Hauser, A., Flambaum, V. V. & Schwerdtfeger, P., 30 Jun 2011, In : Physical review / A. 83, 6, 062514.

Research output: Contribution to journalArticleResearchpeer-review

2015

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Shao, Y., Gan, Z., Epifanovsky, E., Gilbert, A. T. B., Wormit, M., Kussmann, J., Lange, A. W., Behn, A., Deng, J., Feng, X., Ghosh, D., Goldey, M., Horn, P. R., Jacobson, L. D., Kaliman, I., Khaliullin, R. Z., Kuś, T., Landau, A., Liu, J., Proynov, E. I. & 137 othersRhee, Y. M., Richard, R. M., Rohrdanz, M. A., Steele, R. P., Sundstrom, E. J., III, H. L. W., Zimmerman, P. M., Zuev, D., Albrecht, B., Alguire, E., Austin, B., Beran, G. J. O., Bernard, Y. A., Berquist, E., Brandhorst, K., Bravaya, K. B., Brown, S. T., Casanova, D., Chang, C-M., Chen, Y., Chien, S. H., Closser, K. D., Crittenden, D. L., Diedenhofen, M., Do, H., Dutoi, A. D., Edgar, R. G., Fatehi, S., Fusti-Molnar, L., Ghysels, A., Golubeva-Zadorozhnaya, A., Gomes, J., Hanson-Heine, M. W. D., Harbach, P. H. P., Hauser, A., Hohenstein, E. G., Holden, Z. C., Jagau, T-C., Ji, H., Kaduk, B., Khistyaev, K., Kim, J., Kim, J., King, R. A., Klunzinger, P., Kosenkov, D., Kowalczyk, T., Krauter, C. M., Lao, K. U., Laurent, A. D., Lawler, K. V., Levchenko, S. V., Lin, C. Y., Liu, F., Livshits, E., Lochan, R. C., Luenser, A., Manohar, P., Manzer, S. F., Mao, S-P., Mardirossian, N., Marenich, A. V., Maurer, S. A., Mayhall, N. J., Neuscamman, E., Oana, C. M., Olivares-Amaya, R., O’Neill, D. P., Parkhill, J. A., Perrine, T. M., Peverati, R., Prociuk, A., Rehn, D. R., Rosta, E., Russ, N. J., Sharada, S. M., Sharma, S., Small, D. W., Sodt, A., Stein, T., Stück, D., Su, Y-C., Thom, A. J. W., Tsuchimochi, T., Vanovschi, V., Vogt, L., Vydrov, O., Wang, T., Watson, M. A., Wenzel, J., White, A., Williams, C. F., Yang, J., Yeganeh, S., Yost, S. R., You, Z-Q., Zhang, I. Y., Zhang, X., Zhao, Y., Brooks, B. R., Chan, G. K. L., Chipman, D. M., Cramer, C. J., III, W. A. G., Gordon, M. S., Hehre, W. J., Klamt, A., III, H. F. S., Schmidt, M. W., Sherrill, C. D., Truhlar, D. G., Warshel, A., Xu, X., Aspuru-Guzik, A., Baer, R., Bell, A. T., Besley, N. A., Chai, J-D., Dreuw, A., Dunietz, B. D., Furlani, T. R., Gwaltney, S. R., Hsu, C-P., Jung, Y., Kong, J., Lambrecht, D. S., Liang, W., Ochsenfeld, C., Rassolov, V. A., Slipchenko, L. V., Subotnik, J. E., Voorhis, T. V., Herbert, J. M., Krylov, A. I., Gill, P. M. W., Head-Gordon, M. & DiStasio Jr., R. A., 2015, In : Molecular physics. 113, 2, p. 184-215 32 p.

Research output: Contribution to journalArticleResearchpeer-review

2017

On the submersion of alkali metals in prestine and doped helium-nano droplets

Kranabetter, L., Kaiser, A., Renzler, M., Daxner, M., Hauser, A., Ernst, W. E., Lindinger, A., Zillich, R., Ellis, A. M. & Scheier, P., Jun 2017.

Research output: Contribution to conferencePosterResearchpeer-review

Quantum confinement of molecular deuterium clusters in carbon nanotubes:: Ab initio evidence for hexagonal close packing

De Lara-Castells, M. P., Hauser, A. W., Mitrushchenkov, A. O. & Fernández-Perea, R., 2017, In : Physical Chemistry Chemical Physics. 19, 42, p. 28621-28629 9 p.

Research output: Contribution to journalArticleResearchpeer-review