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Academic Journals

1. Andreas W. Hauser. Pushing the limits of OFDFT with neural networks. Nature Computational Science, pages 1-2, 2024. download
2. Johannes K. Krondorfer, Christian W. Binder, Andreas W. Hauser. Symmetry- and gradient-enhanced Gaussian process regression for the active learning of potential energy surfaces in porous materials. The Journal of Chemical Physics, 159(1), 2023.
3. David Buceta, Shahana Huseyinova, Miguel Cuerva, Héctor Lozano, Lisandro J. Giovanetti, José M. Ramallo-López, Patricia López-Caballero, Alexandre Zanchet, Alexander O. Mitrushchenkov, Andreas W. Hauser, Giampaolo Barone, Cristián Huck-Iriart, Carlos Escudero, Juan Carlos Hernández-Garrido, José Juan Calvino, Miguel López-Haro, María Pilar de Lara-Castells, Felix Gregorio Requejo, M. Arturo López-Quintela. Stability and Reversible Oxidation of Sub–Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling. Chemistry – A European Journal, 2023.
4. Johannes K. Krondorfer, Andreas W. Hauser. Nuclear electric resonance for spatially resolved spin control via pulsed optical excitation in the UV-visible spectrum. Phys. Rev. A, 108, 2023. download
5. Andreas W. Hauser, Martina Havenith, Markus Koch, Martin Sterrer. Festschrift for Wolfgang E. Ernst – electronic and nuclear dynamics and their interplay in molecules, clusters and on surfaces. Physical Chemistry Chemical Physics, 25(17):11880-11882, 2023.
6. Andreas W. Hauser, Johann V. Pototschnig. Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner–Teller-like Effect for Endofullerenes. The Journal of Physical Chemistry A, 126(10):1674-1680, 2022.
7. Christian W. Binder, Johannes K. Krondorfer, Andreas W. Hauser. The ridge integration method and its application to molecular sieving, demonstrated for gas purification via graphdiyne membranes. Molecular Systems Design & Engineering, 2022.
8. Wolfgang E. Ernst, Maximilian Lasserus, Daniel Knez, Ferdinand Hofer, Andreas W. Hauser. Mixed-metal nanoparticles: phase transitions and diffusion in Au–VO clusters. Faraday Discussions, 2022.
9. Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Narbe Mardirossian, Pavel Pokhilko, Alec F. White, Marc P. Coons, Adrian L. Dempwolff, Zhengting Gan, Diptarka Hait, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman, Jörg Kussmann, Adrian W. Lange, Ka Un Lao, Daniel S. Levine, Jie Liu, Simon C. McKenzie, Adrian F. Morrison, Kaushik D. Nanda, Felix Plasser, Dirk R. Rehn, Marta L. Vidal, Zhi-Qiang You, Ying Zhu, Bushra Alam, Benjamin J. Albrecht, Abdulrahman Aldossary, Ethan Alguire, Josefine H. Andersen, Vishikh Athavale, Dennis Barton, Khadiza Begam, Andrew Behn, Nicole Bellonzi, Yves A. Bernard, Eric J. Berquist, Hugh G. A. Burton, Abel Carreras, Kevin Carter-Fenk, Romit Chakraborty, Alan D. Chien, Kristina D. Closser, Vale Cofer-Shabica, Saswata Dasgupta, Marc de Wergifosse, Jia Deng, Michael Diedenhofen, Hainam Do, Sebastian Ehlert, Po-Tung Fang, Shervin Fatehi, Qingguo Feng, Triet Friedhoff, James Gayvert, Qinghui Ge, Gergely Gidofalvi, Matthew Goldey, Joe Gomes, Cristina E. González-Espinoza, Sahil Gulania, Anastasia O. Gunina, Magnus W. D. Hanson-Heine, Phillip H. P. Harbach, Andreas Hauser, Michael F. Herbst, Mario Hernández Vera, Manuel Hodecker, Zachary C. Holden, Shannon Houck, Xunkun Huang, Kerwin Hui, Bang C. Huynh, Maxim Ivanov, Ádám Jász, Hyunjun Ji, Hanjie Jiang, Benjamin Kaduk, Sven Kähler, Kirill Khistyaev, Jaehoon Kim, Gergely Kis, Phil Klunzinger, Zsuzsanna Koczor-Benda, Joong Hoon Koh, Dimitri Kosenkov, Laura Koulias, Tim Kowalczyk, Caroline M. Krauter, Karl Kue, Alexander Kunitsa, Thomas Kus, István Ladjánszki, Arie Landau, Keith V. Lawler, Daniel Lefrancois, Susi Lehtola, Run R. Li, Yi-Pei Li, Jiashu Liang, Marcus Liebenthal, Hung-Hsuan Lin, You-Sheng Lin, Fenglai Liu, Kuan-Yu Liu, Matthias Loipersberger, Arne Luenser, Aaditya Manjanath, Prashant Manohar, Erum Mansoor, Sam F. Manzer, Shan-Ping Mao, Aleksandr V. Marenich, Thomas Markovich, Stephen Mason, Simon A. Maurer, Peter F. McLaughlin, Maximilian F. S. J. Menger, Jan-Michael Mewes, Stefanie A. Mewes, Pierpaolo Morgante, J. Wayne Mullinax, Katherine J. Oosterbaan, Garrette Paran, Alexander C. Paul, Suranjan K. Paul, Fabijan Pavošević, Zheng Pei, Stefan Prager, Emil I. Proynov, Ádám Rák, Eloy Ramos-Cordoba, Bhaskar Rana, Alan E. Rask, Adam Rettig, Ryan M. Richard, Fazle Rob, Elliot Rossomme, Tarek Scheele, Maximilian Scheurer, Matthias Schneider, Nickolai Sergueev, Shaama M. Sharada, Wojciech Skomorowski, David W. Small, Christopher J. Stein, Yu-Chuan Su, Eric J. Sundstrom, Zhen Tao, Jonathan Thirman, Gábor J. Tornai, Takashi Tsuchimochi, Norm M. Tubman, Srimukh Prasad Veccham, Oleg Vydrov, Jan Wenzel, Jon Witte, Atsushi Yamada, Kun Yao, Sina Yeganeh, Shane R. Yost, Alexander Zech, Igor Ying Zhang, Xing Zhang, Yu Zhang, Dmitry Zuev, Alán Aspuru-Guzik, Alexis T. Bell, Nicholas A. Besley, Ksenia B. Bravaya, Bernard R. Brooks, David Casanova, Jeng-Da Chai, Sonia Coriani, Christopher J. Cramer, György Cserey, A. Eugene DePrince, Robert A. DiStasio, Andreas Dreuw, Barry D. Dunietz, Thomas R. Furlani, William A. Goddard, Sharon Hammes-Schiffer, Teresa Head-Gordon, Warren J. Hehre, Chao-Ping Hsu, Thomas-C. Jagau, Yousung Jung, Andreas Klamt, Jing Kong, Daniel S. Lambrecht, WanZhen Liang, Nicholas J. Mayhall, C. William McCurdy, Jeffrey B. Neaton, Christian Ochsenfeld, John A. Parkhill, Roberto Peverati, Vitaly A. Rassolov, Yihan Shao, Lyudmila V. Slipchenko, Tim Stauch, Ryan P. Steele, Joseph E. Subotnik, Alex J. W. Thom, Alexandre Tkatchenko, Donald G. Truhlar, Troy Van Voorhis, Tomasz A. Wesolowski, K. Birgitta Whaley, H. Lee Woodcock, Paul M. Zimmerman, Shirin Faraji, Peter M. W. Gill, Martin Head-Gordon, John M. Herbert, Anna I. Krylov. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics, 155(8), 2021.
10. Alexander O. Mitrushchenkov, Alexandre Zanchet, Andreas W. Hauser, María Pilar de Lara-Castells. Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu5 Clusters. The Journal of Physical Chemistry A, 125(41):9143-9150, 2021.
11. Alvaro Castillo-García, Andreas W. Hauser, María Pilar de Lara-Castells, Pablo Villarreal. A Path Integral Molecular Dynamics Simulation of a Harpoon-Type Redox Reaction in a Helium Nanodroplet. Molecules, 26(19), 2021.
12. Martin Schnedlitz, Daniel Knez, Maximilian Lasserus, Ferdinand Hofer, Ricardo Fernández-Perea, Andreas W. Hauser, Marı́a Pilar de Lara-Castells, Wolfgang E. Ernst. Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold. The Journal of Physical Chemistry C, 124(30):16680-16688, 2020. download
13. Wolfgang E. Ernst, Andreas W. Hauser. Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory. Physical Chemistry Chemical Physics, 23(13):7553-7574, 2020.
14. Ralf Meyer, Manuel Weichselbaum, Andreas W Hauser. Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative. Journal of Chemical Theory and Computation, 16(9):5685-5694, 2020. download
15. Ralf Meyer, Andreas W. Hauser. Geometry optimization using Gaussian process regression in internal coordinate systems. The Journal of Chemical Physics, 152(8), 2020. download
16. Maximilian Lasserus, Martin Schnedlitz, Roman Messner, Florian Lackner, Wolfgang E. Ernst, Andreas W. Hauser. Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions. Chemical Science, 10(12):3473-3480, 2019. download
17. Daniel Knez, Martin Schnedlitz, Maximilian Lasserus, Andreas W. Hauser, Wolfgang E. Ernst, Ferdinand Hofer, Gerald Kothleitner. The impact of swift electrons on the segregation of Ni-Au nanoalloys. Applied Physics Letters, 115(12), 2019. download
18. Alexandre Zanchet, Patricia López-Caballero, Alexander O. Mitrushchenkov, David Buceta, Manuel Arturo López-Quintela, Andreas W. Hauser, María Pilar de Lara-Castells. On the Stability of Cu5 Catalysts in Air Using Multireference Perturbation Theory. The Journal of Physical Chemistry C, 123(44):27064-27072, 2019. download
19. Maximilian Lasserus, Daniel Knez, Martin Schnedlitz, Andreas W. Hauser, Ferdinand Hofer, Wolfgang E. Ernst. On the passivation of iron particles at the nanoscale. Nanoscale Advances, 1(6):2276-2283, 2019. download
20. Ralf Meyer, Klemens S Schmuck, Andreas W Hauser. Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band Calculations. Journal of Chemical Theory and Computation, 15(11):6513-6523, 2019. download
21. María Pilar de Lara-Castells, Andreas W. Hauser, José M. Ramallo-López, David Buceta, Lisandro J. Giovanetti, M. Arturo López-Quintela, Félix G. Requejo. Increasing the optical response of TiO 2 and extending it into the visible region through surface activation with highly stable Cu 5 clusters. Journal of Materials Chemistry A, 7(13):7489-7500, 2019. download
22. Patricia López-Caballero, Andreas W. Hauser, María Pilar de Lara-Castells. Exploring the Catalytic Properties of Unsupported and TiO2‑Supported Cu5 Clusters: CO2 Decomposition to CO and CO2 Photoactivation. The Journal of Physical Chemistry C, 123(37):23064-23074, 2019. download
23. Martin Schnedlitz, Ricardo Fernandez-Perea, Daniel Knez, Maximilian Lasserus, Alexander Schiffmann, Ferdinand Hofer, Andreas W. Hauser, Maria Pilar de Lara-Castells, Wolfgang E. Ernst. Effects of the Core Location on the Structural Stability of Ni–Au Core–Shell Nanoparticles. The Journal of Physical Chemistry C, 123(32):20037-20043, 2019. download
24. Bernhard Thaler, Ralf Meyer, Pascal Heim, Sascha Ranftl, Johann V. Pototschnig, Andreas W. Hauser, Markus Koch, Wolfgang E. Ernst. Conservation of Hot Thermal Spin–Orbit Population of 2P Atoms in a Cold Quantum Fluid Environment. The Journal of Physical Chemistry A, 123(18):3977-3984, 2019. download
25. Cristina Puzzarini, Vincenzo Barone. A never-ending story in the sky: The secrets of chemical evolution. Physics of Life Reviews, 32:59-94, 2019. download
26. Maximilian Lasserus, Martin Schnedlitz, Daniel Knez, Roman Messner, Alexander Schiffmann, Florian Lackner, Andreas W. Hauser, Ferdinand Hofer, Wolfgang E. Ernst. Thermally induced alloying processes in a bimetallic system at the nanoscale: AgAu sub-5 nm core–shell particles studied at atomic resolution. Nanoscale, 10(4):2017-2024, 2018. download
27. Martin Schnedlitz, Maximilian Lasserus, Ralf Meyer, Daniel Knez, Ferdinand Hofer, Wolfgang E. Ernst, Andreas W. Hauser. Stability of Core–Shell Nanoparticles for Catalysis at Elevated Temperatures: Structural Inversion in the Ni–Au System Observed at Atomic Resolution. Chemistry of Materials, 30(3):1113-1120, 2018. download
28. Bernhard Thaler, Sascha Ranftl, Pascal Heim, Stefan Cesnik, Leonhard Treiber, Ralf Meyer, Andreas W. Hauser, Wolfgang E. Ernst, Markus Koch. Femtosecond photoexcitation dynamics inside a quantum solvent. Nature Communications, 9(1), 2018. download
29. Samuel M. Fruehwirth, Ralf Meyer, Andreas W. Hauser. Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene. ChemPhysChem, 19(18):2331-2339, 2018. download
30. Johann V. Pototschnig, Ralf Meyer, Andreas W. Hauser, Wolfgang E. Ernst. Vibronic transitions in the alkali-metal (Li, Na, K, Rb) – alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals. Physical Review A, 95(2), 2017. download
31. Martin Schnedlitz, Maximilian Lasserus, Daniel Knez, Andreas W. Hauser, Ferdinand Hofer, Wolfgang E. Ernst. Thermally induced breakup of metallic nanowires: experiment and theory. Physical Chemistry Chemical Physics, 19(14):9402-9408, 2017. download
32. Johann V. Pototschnig, Florian Lackner, Andreas W. Hauser, Wolfgang E. Ernst. Rydberg states of alkali atoms on superfluid helium nanodroplets: inside or outside?. Physical Chemistry Chemical Physics, 19(22):14718-14728, 2017. download
33. Andreas W. Hauser, Alexander O. Mitrushchenkov, María Pilar de Lara-Castells. Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes. The Journal of Physical Chemistry C, 121(7):3807-3821, 2017. download
34. María Pilar de Lara-Castells, Andreas W. Hauser, Alexander O. Mitrushchenkov, Ricardo Fernández-Perea. Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing. Physical Chemistry Chemical Physics, 19(42):28621-28629, 2017. download
35. María Pilar de Lara-Castells, Andreas W. Hauser, Alexander O. Mitrushchenkov. Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet. The Journal of Physical Chemistry Letters, 8(17):4284-4288, 2017. download
36. Andreas W. Hauser, Martin Schnedlitz, Wolfgang E. Ernst. A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles. The European Physical Journal D, 71(6), 2017. download
37. Andreas W. Hauser, María Pilar de Lara-Castells. Spatial quenching of a molecular charge-transfer process in a quantum fluid: the Cs x –C 60 reaction in superfluid helium nanodroplets. Physical Chemistry Chemical Physics, 19(2):1342-1351, 2016. download
38. Johann V. Pototschnig, Andreas W. Hauser, Wolfgang E. Ernst. Electric dipole moments and chemical bonding of diatomic alkali–alkaline earth molecules. Physical Chemistry Chemical Physics, 18(8):5964-5973, 2016. download
39. Michael Renzler, Matthias Daxner, Lorenz Kranabetter, Alexander Kaiser, Andreas W. Hauser, Wolfgang E. Ernst, Albrecht Lindinger, Robert Zillich, Paul Scheier, Andrew M. Ellis. Communication: Dopant-induced solvation of alkalis in liquid helium nanodroplets. The Journal of Chemical Physics, 145(18), 2016. download
40. Andreas W. Hauser, María Pilar de Lara-Castells. Carbon Nanotubes Immersed in Superfluid Helium: The Impact of Quantum Confinement on Wetting and Capillary Action. The Journal of Physical Chemistry Letters, 7(23):4929-4935, 2016. download
41. Andreas W. Hauser, Paul R. Horn, Martin Head-Gordon, Alexis T. Bell. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Physical Chemistry Chemical Physics, 18(16):10906-10917, 2016. download
42. Alexander Volk, Daniel Knez, Philipp Thaler, Andreas W. Hauser, Werner Grogger, Ferdinand Hofer, Wolfgang E. Ernst. Thermal instabilities and Rayleigh breakup of ultrathin silver nanowires grown in helium nanodroplets. Physical Chemistry Chemical Physics, 17(38):24570-24575, 2015. download
43. Alexander Volk, Philipp Thaler, Daniel Knez, Andreas W. Hauser, Johannes Steurer, Werner Grogger, Ferdinand Hofer, Wolfgang E. Ernst. The impact of doping rates on the morphologies of silver and gold nanowires grown in helium nanodroplets. Physical Chemistry Chemical Physics, 18(3):1451-1459, 2015. download
44. Jason Wu, Shaama Mallikarjun Sharada, Chris Ho, Andreas W. Hauser, Martin Head-Gordon, Alexis T. Bell. Ethane and propane dehydrogenation over PtIr/Mg(Al)O. Applied Catalysis A: General, 506:25-32, 2015. download
45. Andreas W. Hauser, Alexander Volk, Philipp Thaler, Wolfgang E. Ernst. Atomic collisions in suprafluid helium-nanodroplets: timescales for metal-cluster formation derived from He-density functional theory. Physical Chemistry Chemical Physics, 17(16):10805-10812, 2015. download
46. Andreas W. Hauser, Johann V. Pototschnig, Wolfgang E. Ernst. A classic case of Jahn–Teller effect theory revisited: Ab initio simulation of hyperfine coupling and pseudorotational tunneling in the 12E’ state of Na3. Chemical Physics, 460:2-13, 2015. download
47. Martin Ratschek, Johann V. Pototschnig, Andreas W. Hauser, Wolfgang E. Ernst. Solvation and Spectral Line Shifts of Chromium Atoms in Helium Droplets Based on a Density Functional Theory Approach. The Journal of Physical Chemistry A, 118(33):6622-6631, 2014. download
48. Andreas W. Hauser, Narbe Mardirossian, Julien A. Panetier, Martin Head–Gordon, Alexis T. Bell, Peter Schwerdtfeger. Functionalized Graphene as a Gatekeeper for Chiral Molecules: An Alternative Concept for Chiral Separation. Angewandte Chemie International Edition, 53(37):9957-9960, 2014. download
49. Johann V. Pototschnig, Martin Ratschek, Andreas W. Hauser, Wolfgang E. Ernst. An ab initio study of the CrHe diatomic molecule: the effect of van der Waals distortion on a highly magnetic multi-electron system. Physical Chemistry Chemical Physics, 16(20):9469-9478, 2014. download
50. Yihan Shao, Zhengting Gan, Evgeny Epifanovsky, Andrew T.B. Gilbert, Michael Wormit, Joerg Kussmann, Adrian W. Lange, Andrew Behn, Jia Deng, Xintian Feng, Debashree Ghosh, Matthew Goldey, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman, Rustam Z. Khaliullin, Tomasz Kuś, Arie Landau, Jie Liu, Emil I. Proynov, Young Min Rhee, Ryan M. Richard, Mary A. Rohrdanz, Ryan P. Steele, Eric J. Sundstrom, H. Lee Woodcock III, Paul M. Zimmerman, Dmitry Zuev, Ben Albrecht, Ethan Alguire, Brian Austin, Gregory J. O. Beran, Yves A. Bernard, Eric Berquist, Kai Brandhorst, Ksenia B. Bravaya, Shawn T. Brown, David Casanova, Chun-Min Chang, Yunqing Chen, Siu Hung Chien, Kristina D. Closser, Deborah L. Crittenden, Michael Diedenhofen, Robert A. DiStasio Jr, Hainam Do, Anthony D. Dutoi, Richard G. Edgar, Shervin Fatehi, Laszlo Fusti-Molnar, An Ghysels, Anna Golubeva-Zadorozhnaya, Joseph Gomes, Magnus W.D. Hanson-Heine, Philipp H.P. Harbach, Andreas W. Hauser, Edward G. Hohenstein, Zachary C. Holden, Thomas-C. Jagau, Hyunjun Ji, Benjamin Kaduk, Kirill Khistyaev, Jaehoon Kim, Jihan Kim, Rollin A. King, Phil Klunzinger, Dmytro Kosenkov, Tim Kowalczyk, Caroline M. Krauter, Ka Un Lao, Adèle D. Laurent, Keith V. Lawler, Sergey V. Levchenko, Ching Yeh Lin, Fenglai Liu, Ester Livshits, Rohini C. Lochan, Arne Luenser, Prashant Manohar, Samuel F. Manzer, Shan-Ping Mao, Narbe Mardirossian, Aleksandr V. Marenich, Simon A. Maurer, Nicholas J. Mayhall, Eric Neuscamman, C. Melania Oana, Roberto Olivares-Amaya, Darragh P. O’Neill, John A. Parkhill, Trilisa M. Perrine, Roberto Peverati, Alexander Prociuk, Dirk R. Rehn, Edina Rosta, Nicholas J. Russ, Shaama M. Sharada, Sandeep Sharma, David W. Small, Alexander Sodt, Tamar Stein, David Stück, Yu-Chuan Su, Alex J.W. Thom, Takashi Tsuchimochi, Vitalii Vanovschi, Leslie Vogt, Oleg Vydrov, Tao Wang, Mark A. Watson, Jan Wenzel, Alec White, Christopher F. Williams, Jun Yang, Sina Yeganeh, Shane R. Yost, Zhi-Qiang You, Igor Ying Zhang, Xing Zhang, Yan Zhao, Bernard R. Brooks, Garnet K.L. Chan, Daniel M. Chipman, Christopher J. Cramer, William A. Goddard III, Mark S. Gordon, Warren J. Hehre, Andreas Klamt, Henry F. Schaefer III, Michael W. Schmidt, C. David Sherrill, Donald G. Truhlar, Arieh Warshel, Xin Xu, Alán Aspuru-Guzik, Roi Baer, Alexis T. Bell, Nicholas A. Besley, Jeng-Da Chai, Andreas Dreuw, Barry D. Dunietz, Thomas R. Furlani, Steven R. Gwaltney, Chao-Ping Hsu, Yousung Jung, Jing Kong, Daniel S. Lambrecht, WanZhen Liang, Christian Ochsenfeld, Vitaly A. Rassolov, Lyudmila V. Slipchenko, Joseph E. Subotnik, Troy Van Voorhis, John M. Herbert, Anna I. Krylov, Peter M.W. Gill, Martin Head-Gordon. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Molecular Physics, 113(2):184-215, 2014. download
51. Andreas W. Hauser, Joseph Gomes, Michal Bajdich, Martin Head-Gordon, Alexis T. Bell. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Physical Chemistry Chemical Physics, 15(47):20727-20734, 2013. download
52. Andreas W. Hauser, Thomas Gruber, Michael Filatov, Wolfgang E. Ernst. Shifts in the ESR Spectra of Alkali–Metal Atoms (Li, Na, K, Rb) on Helium Nanodroplets. ChemPhysChem, 14(4):716-722, 2013. download
53. Andreas W. Hauser, Peter Schwerdtfeger. Nanoporous Graphene Membranes for Efficient 3He/4He Separation. The Journal of Physical Chemistry Letters, 3(2):209-213, 2012. download
54. Andreas W. Hauser, Peter Schwerdtfeger. Methane-selective nanoporous graphene membranes for gas purification. Physical Chemistry Chemical Physics, 14(38):13292-13298, 2012. download
55. Andreas W. Hauser, Joshua Schrier, Peter Schwerdtfeger. Helium Tunneling through Nitrogen-Functionalized Graphene Pores: Pressure- and Temperature-Driven Approaches to Isotope Separation. The Journal of Physical Chemistry C, 116(19):10819-10827, 2012. download
56. Johannes Poms, Andreas W. Hauser, Wolfgang E. Ernst. Helium nanodroplets doped with xenon and rubidium atoms: a case study of van der Waals interactions between heliophilic and heliophobic dopants. Physical Chemistry Chemical Physics, 14(43):15158-15165, 2012. download
57. K. Beloy, M. G. Kozlov, A. Borschevsky, A. W. Hauser, V. V. Flambaum, P. Schwerdtfeger. Rotational spectrum of the molecular ion NH+ as a probe for α and me/mp variation. Physical Review A, 83(6), 2011. download
58. Christian Giese, Frank Stienkemeier, Marcel Mudrich, Andreas W. Hauser, Wolfgang E. Ernst. Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part II. Femtosecond spectroscopy and spectra assignments. Physical Chemistry Chemical Physics, 13(42):18769-18780, 2011. download
59. Andreas W. Hauser, Wolfgang E. Ernst. Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part I. Vibronic spectra simulations based on ab initio calculations. Physical Chemistry Chemical Physics, 13(42):18762-18768, 2011. download
60. K. Beloy, A. W. Hauser, A. Borschevsky, V. V. Flambaum, P. Schwerdtfeger. Effect of α variation on the vibrational spectrum of Sr2. Physical Review A, 84(6), 2011. download
61. Andreas W. Hauser, Gerald Auböck, Carlo Callegari, Wolfgang E. Ernst. Relativistic Jahn–Teller effects in the quartet states of K3 and Rb3: A vibronic analysis of the 2 E4’←1 A42’ electronic transitions based on ab initio calculations. The Journal of Chemical Physics, 132(16), 2010. download
62. Andreas W. Hauser, Carlo Callegari, Pavel Soldán, Wolfgang E. Ernst. A Jahn–Teller analysis of K3 and Rb3 in the electronic states 12E’ and 12E″. Chemical Physics, 375(1):73-84, 2010.
63. Andreas W. Hauser, Carlo Callegari, Pavel Soldán, Wolfgang E. Ernst. On the doublet states of the potassium trimer. The Journal of Chemical Physics, 129(4), 2008. download
64. Johann Nagl, Gerald Auböck, Andreas W. Hauser, Olivier Allard, Carlo Callegari, Wolfgang E. Ernst. High-spin alkali trimers on helium nanodroplets: Spectral separation and analysis. The Journal of Chemical Physics, 128(15), 2008. download
65. Johann Nagl, Gerald Auböck, Andreas W. Hauser, Olivier Allard, Carlo Callegari, Wolfgang E. Ernst. Heteronuclear and Homonuclear High-Spin Alkali Trimers on Helium Nanodroplets. Physical Review Letters, 100(6), 2008. download
66. Balázs Hetényi, Andreas W. Hauser. Extended Hartree-Fock method based on pair density functional theory. Physical Review B, 77(15), 2008. download
67. Johann Nagl, Andreas W. Hauser, Gerald Auböck, Carlo Callegari, Wolfgang E. Ernst. Optical Spectroscopy of Potassium-Doped Argon Clusters. Experiments and Quantum-Chemistry Calculations †. The Journal of Physical Chemistry A, 111(49):12386-12397, 2007. download

Book Chapters

1. Andreas W Hauser, Peter Schwerdtfeger. Nanoporous graphene sheets for gas separation. In Graphene Science Handbook, Mahmood Aliofkhazraei, Nasar Ali, William I. Milne, Cengiz S. Ozkan, Stanislaw Mitura, Juana L. Gervasoni (eds.), pp. 473-486, Taylor and Francis, 2016. download
2. Andreas W Hauser, Gerald Auböck, Wolfgang E Ernst. Jahn-Teller Effect and Spin-Orbit Coupling in Heavy Alkali Trimers. In Vibronic Interactions and the Jahn-Teller Effect, pp. 301-316, Springer Netherlands, Dordrecht, 2011.
3. Andreas W. Hauser, Carlo Callegari, Wolfgang E. Ernst. Advances in the Theory of Atomic and Molecular Systems, Dynamics, Spectroscopy, Clusters, and Nanostructures. In Advances in the Theory of Atomic and Molecular Systems, pp. 201-215, Progress in Theoretical Chemistry and Physics, Springer Netherlands, Dordrecht, 2010. download

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