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  • Andreas Hauser
2019

Conservation of Hot Thermal Spin-Orbit Population of 2 P Atoms in a Cold Quantum Fluid Environment

Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A. W., Koch, M. & Ernst, W. E., 9 May 2019, In : Journal of Physical Chemistry A. 123, 18, p. 3977-3984 8 p.

Research output: Contribution to journalArticleResearchpeer-review

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

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

Hot spin-orbit population of In 2P3/2 in a cold quantum fluid environment

Thaler, B., Meyer, R., Heim, P., Pototschnig, J. V., Hauser, A., Koch, M. & Ernst, W. E., Aug 2019, p. 180.

Research output: Contribution to conferencePosterResearchpeer-review

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

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

Nanomaterials Synthesized in Helium Droplets

Ernst, W. E., Hauser, A., Lackner, F., Knez, D. & Hofer, F., May 2019, p. 226.

Research output: Contribution to conferenceAbstractResearchpeer-review

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

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

Synthesis of nanosized vanadium(v) oxide clusters below 10 nm

Lasserus, M., Knez, D., Lackner, F., Schnedlitz, M., Messner, R., Schennach, D., Kothleitner, G., Hofer, F., Hauser, A. W. & Ernst, W. E., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 37, p. 21104-21108 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

The impact of swift electrons on the segregation of Ni-Au nanoalloys

Knez, D., Schnedlitz, M., Lasserus, M., Hauser, A., Ernst, W. E., Hofer, F. & Kothleitner, G., 16 Sep 2019, In : Applied Physics Letters. 115, 12, 123103.

Research output: Contribution to journalArticleResearchpeer-review

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

2018

A comparison of machine learning algorithms for transition state searches in computational chemistry

Schmuck, K., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101

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

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

Applicability of Neural Network-based Approaches to SCF Initial Guess Generation

Cartus, J. J., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101

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

Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene

Fruehwirth, S. M., Meyer, R. & Hauser, A. W., 18 Sep 2018, In : ChemPhysChem. 19, 18, p. 2331-2339 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Core-Shell Nanoparticles for Plasmonics and Catalysis

Schiffmann, A., Schnedlitz, M., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Knez, D., Hofer, F. & Ernst, W. E., Oct 2018. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

Embedded atom model potentials for metallic nanoparticles based on neural networks

Meyer, R., Fuchs, A. & Hauser, A., Jun 2018, p. 27. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

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

Molecular Collisions in Helium Droplets: From Spatial Hindrance to Controlled Molecular Synthesis

Hauser, A., De Lara-Castells, M. P. & Ernst, W. E., 25 Mar 2018.

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

On the Unexpected Alloying Behaviour of Ni-Au and Co-Au Core-Shell Nanoparticles,

Hauser, A., Schnedlitz, M., Lasserus, M. I., Meyer, R., Ernst, W. E., Knez, D., Hofer, F., Fernandez-Perea, R. & De Lara-Castells, M. P., Dec 2018, p. 1.

Research output: Contribution to conferenceAbstractResearchpeer-review

Temperature studies of Ni@Au and Co@Au core@shell systems on the nanoscale

Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Ernst, W. E., Knez, D. & Hofer, F., Feb 2018. 1 p.

Research output: Contribution to conferenceAbstractResearchpeer-review

Temperature Studies of Ni@Au and Co@Au Core@Shell Systems on the Nanoscale

Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Knez, D., Hofer, F., Hauser, A. & Ernst, W. E., 6 Feb 2018.

Research output: Contribution to conferencePosterResearch

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

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

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

Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet

De Lara-Castells, M. P., Hauser, A. W. & Mitrushchenkov, A. O., 7 Sep 2017, In : Journal of Physical Chemistry Letters. 8, 17, p. 4284-4288 5 p.

Research output: Contribution to journalArticleResearchpeer-review

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

Electronic excitation and nuclear motion of atomic dopants in He nanodroplets

Hauser, A., Schnedlitz, M., Pototschnig, J. V., Meyer, R. & Ernst, W. E., Oct 2017, p. 18.

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

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

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

Lowest electronic states of alkali (Li, Na, K, Rb) – alkaline-earth (Ca, Sr) diatomic molecules

Pototschnig, J. V., Meyer, R., Hauser, A. & Ernst, W. E., Aug 2017, p. 599.

Research output: Contribution to conferenceAbstractResearchpeer-review

Metallic nanoparticles prepared in superfluid helium droplets: structure, phase transitions, alloy formation

Schnedlitz, M., Lasserus, M. I., Knez, D., Hauser, A., Hofer, F. & Ernst, W. E., Apr 2017.

Research output: Contribution to conferenceAbstractResearchpeer-review

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

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

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

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

Rydberg states of alkali metal atoms on superfluid helium droplets - theoretical considerations

Pototschnig, J. V., Lackner, F., Hauser, A. & Ernst, W. E., Jun 2017.

Research output: Contribution to conferenceAbstractResearchpeer-review