Institute of Theoretical and Computational Physics (5150)

  • 8010

    Petersgasse 16 Graz

    Austria

Research Output

2020

Accelerated methods for direct computation of fusion alpha particle losses within stellarator optimization

Albert, C. G., Kasilov, S. V. & Kernbichler, W., Apr 2020, In : Journal of Plasma Physics. 86, 2, 815860201.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Electronic structure and superconductivity of the non-centrosymmetric Sn4As3

Marques, C. A., Neat, M. J., Yim, C. M., Watson, M. D., Heil, C., Pervakov, K. S., Vlasenko, V. A., Pudalov, V. M., Muratov, A. V., Kim, T. K. & Wahl, P., 2020, In : New Journal of Physics . 22, 11 p., 063049.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Emergence of a ferromagnetic insulating state in LaMnO3/SrTiO3 heterostructures: Role of strong electronic correlations and strain

Banerjee, H. & Aichhorn, M., 24 Jun 2020, In : Physical Review / B. 101, 24, 5 p., 241112(R).

Research output: Contribution to journalLetterResearchpeer-review

Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation

Elgabarty, H., Kampfrath, T., Bonthuis, D. J., Balos, V., Kaliannan, N. K., Loche, P., Netz, R. R., Wolf, M., Kühne, T. D. & Sajadi, M., 1 Apr 2020, In : Science Advances. 6, 17, eaay7074.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Exploring the Absorption Spectrum of Simulated Water from MHz to Infrared

Carlson, S., Brünig, F. N., Loche, P., Bonthuis, D. J. & Netz, R. R., 9 Jul 2020, In : The Journal of Physical Chemistry / A. 124, 27, p. 5599-5605 7 p.

Research output: Contribution to journalArticleResearchpeer-review

Gaussian Process Regression for Data Fulfilling Linear Differential Equations with Localized Sources

Albert, C. G. & Rath, K., 27 Jan 2020, In : Entropy. 22, 152.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Impact of Rim Orientation on Road Vehicles Aerodynamics Simulations

Bukovnik, G., von der Linden, W. & Brenn, G., 14 Apr 2020, In : SAE Technical Papers. 2020, 2020-01-0674, 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Macroscopic conductivity of aqueous electrolyte solutions scales with ultrafast microscopic ion motions

Balos, V., Imoto, S., Netz, R. R., Bonn, M., Bonthuis, D. J., Nagata, Y. & Hunger, J., 1 Dec 2020, In : Nature Communications. 11, 1, 8 p., 1611.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Nanomolar Surface-Active Charged Impurities Account for the Zeta Potential of Hydrophobic Surfaces

Uematsu, Y., Bonthuis, D. J. & Netz, R. R., 7 Apr 2020, In : Langmuir. 36, 13, p. 3645-3658 14 p.

Research output: Contribution to journalArticleResearchpeer-review

Time dependent variational principle for tree Tensor Networks

Bauernfeind, D. & Aichhorn, M., 7 Feb 2020, In : SciPost Physics. 8, 2, 21 p., 024.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Time evolution of entanglement negativity across a defect

Gruber, M. & Eisler, V., 28 Apr 2020, In : Journal of Physics / A. 53, 20, 27 p., 205301.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2019

Ab initio prediction of a two-dimensional variant of the iridate IrO2

Smolyanyuk, A., Aichhorn, M., Mazin, I. I. & Boeri, L., 9 Dec 2019, In : Physical Review / B. 100, 235114.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Auxiliary master equation approach to the pseudogap Anderson model out of equilibrium

Fugger, D. M., Bauernfeind, D., Sorantin, M. E. & Arrigoni, E., 10 Sep 2019.

Research output: Contribution to conferencePosterResearch

Auxiliary master equation approach within stochastic wave functions: Application to the interacting resonant level model

Sorantin, M. E., Fugger, D. M., Dorda, A., Von Der Linden, W. & Arrigoni, E., 4 Apr 2019, In : Physical Review E. 99, 4, 043303.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Bayesian Analysis of Femtosecond Pump-Probe Photoelectron-Photoion Coincidence Spectra with Fluctuating Laser Intensities

Heim, P., Rumetshofer, M., Ranftl, S., Thaler, B., Ernst, W. E., Koch, M. & von der Linden, W., 19 Jan 2019, In : Entropy. 21, 1, 93.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Bayesian parametric analytic continuation of Green's functions

Rumetshofer, M., Bauernfeind, D. & von der Linden, W., 19 Aug 2019, In : Physical Review / B. 100, 7, 075137.

Research output: Contribution to journalArticleResearchpeer-review

Bayesian probability theory to identify false coincidences in coincidence experiments

Heim, P., Rumetshofer, M., Thaler, B., Ernst, W. E., von der Linden, W. & Koch, M., Apr 2019, UP2018 - Proceedings. EPJ Web of Conferences , Vol. 205. 3 p.

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

Open Access

Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2

Lian, C-S., Heil, C., Liu, X., Si, C., Giustino, F. & Duan, W., 5 Jul 2019, In : Journal of Physical Chemistry Letters. 10, 14, p. 4076 4081 p., 9b01480.

Research output: Contribution to journalLetterResearchpeer-review

Open Access

Comment on "hydrophobic Surface Enhances Electrostatic Interaction in Water"

Loche, P., Wolde-Kidan, A., Schlaich, A., Bonthuis, D. J. & Netz, R. R., 24 Jul 2019, In : Physical Review Letters. 123, 4, 049601.

Research output: Contribution to journalArticleResearchpeer-review

Density-wave steady-state phase of dissipative ultracold fermions with nearest-neighbor interactions

Panas, J., Pasek, M., Dhar, A., Qin, T., Geißler, A., Hafez-Torbati, M., Sorantin, M. E., Titvinidze, I. & Hofstetter, W., 18 Mar 2019, In : Physical Review B. 99, 11, 115125.

Research output: Contribution to journalArticleResearchpeer-review

Dependence on plasma shape and plasma fueling for small edge-localized mode regimes in TCV and ASDEX Upgrade

EUROfusion MST1 Team, 2019, In : Nuclear fusion.

Research output: Contribution to journalArticleResearchpeer-review

Electronic and magnetic state of LaMnO3 epitaxially strained on SrTiO3: Effect of local correlation and nonlocal exchange

Banerjee, H., Janson, O., Held, K. & Saha-Dasgupta, T., 18 Sep 2019, In : Physical Review / B. 100, 11, 115143.

Research output: Contribution to journalArticleResearchpeer-review

Energy-level alignment at strongly coupled organic-metal interfaces

Chen, M. T., Hofmann, O. T., Gerlach, A., Bröker, B., Bürker, C., Niederhausen, J., Hosokai, T., Zegenhagen, J., Vollmer, A., Rieger, R., Müllen, K., Schreiber, F., Salzmann, I., Koch, N., Zojer, E. & Duhm, S., 1 Jan 2019, In : Journal of Physics Condensed Matter. 31, 19, 194002.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

First-principles quantum transport simulation of CuPc on Au(111) and Ag(111)

Rumetshofer, M., Bauernfeind, D., Arrigoni, E. & von der Linden, W., 28 Jan 2019, In : Physical Review / B. 99, 4, 045148.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Gaussian Processes for Data Fulfilling Linear Differential Equations

Albert, C. G., 21 Nov 2019, In : Proceedings / Electrochemical Society.

Research output: Contribution to journalArticleResearchpeer-review

Global small-angle scattering data analysis of inverted hexagonal phases

Frewein, M. P. K., Rumetshofer, M. & Pabst, G., 1 Apr 2019, In : Journal of applied crystallography. 52, 2, p. 403-414 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Hall coefficient signals orbital differentiation in the Hund’s metal Sr2RuO4

Zingl, M., Mravlje, J., Aichhorn, M., Parcollet, O. & Georges, A., 2019, In : npj Quantum Materials. 4, 6 p., 35.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver

Wruss, E., Prokopiou, G., Kronik, L., Zojer, E., Hofmann, O. T. & Egger, D. A., 30 Aug 2019, In : Physical Review Materials. 3, 8, 086002.

Research output: Contribution to journalArticleResearchpeer-review

Magnetization and entanglement after a geometric quench in the XXZ chain

Gruber, M. & Eisler, V., 6 May 2019, In : Physical Review / B. 99, 17, 174403.

Research output: Contribution to journalArticleResearchpeer-review

Manipulating surface magnetic order in iron telluride

Trainer, C., Yim, C. M., Heil, C., Giustino, F., Croitori, D., Tsurkan, V., Loidl, A., Rodriguez, E. E., Stock, C. & Wahl, P., 2019, In : Science Advances. 5, 3, p. eaav3478 7 p., eaav3478.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Markovian treatment of non-Markovian dynamics of open Fermionic systems

Chen, F., Arrigoni, E. & Galperin, M., 1 Dec 2019, In : New Journal of Physics . 21, 12, 123035.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Micro-Faraday cup matrix detector for ion beam measurements in fusion plasmas

Réfy, D. I., Zoletnik, S., Dunai, D., Anda, G., Lampert, M., Hegedus, S., Nagy, D., Palánkai, M., Kádi, J., Leskó, B., Aradi, M., Hacek, P. & Weinzettl, V., 1 Mar 2019, In : Review of scientific instruments. 90, 3, 033501.

Research output: Contribution to journalArticleResearchpeer-review

Model-Based Selection of Cost-Effective Low Impact Development Strategies to Control Water Balance

Leimgruber, J., Krebs, G., Camhy, D. & Muschalla, D., 2019, In : Sustainability . 11, 8, 2440.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Modelling of neoclassical toroidal viscosity from internal MHD modes in ASDEX-Upgrade

Buchholz, R., Gude, A., Igochine, V., Kasilov, S., Kernbichler, W. & Martitsch, A. F., 2019, p. P4.1059. 4 p.

Research output: Contribution to conferencePaperResearch

Open Access

Nonequilibrium Green's functions and their relation to the negative differential conductance in the interacting resonant level model

Sorantin, M. E., Von Der Linden, W., Lucrezi, R. & Arrigoni, E., 20 Feb 2019, In : Physical Review B. 99, 7, 075139.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Nonequilibrium transport in correlated impurities and photovoltaics.

Arrigoni, E., Sorantin, M. E., Fugger, D. M., Dorda, A. & Titvinidze, I., 16 Sep 2019, (Unpublished).

Research output: Contribution to conferencePosterResearch

Nonlinear Electrophoresis of Highly Charged Nonpolarizable Particles

Tottori, S., Misiunas, K., Keyser, U. F. & Bonthuis, D. J., 1 Jul 2019, In : Physical Review Letters. 123, 1, 014502.

Research output: Contribution to journalArticleResearchpeer-review

On the continuum limit of the entanglement Hamiltonian

Eisler, V., Tonni, E. & Peschel, I., 1 Jul 2019, In : Journal of statistical mechanics - theory and experiment. 2019, 073101.

Research output: Contribution to journalArticleResearchpeer-review

Overview of physics studies on ASDEX Upgrade

EUROfusion MST1 Team, 2019, In : Nuclear fusion.

Research output: Contribution to journalArticleResearchpeer-review

Parquet approximation for molecules: Spectrum and optical conductivity of the Pariser-Parr-Pople model

Pudleiner, P., Thunström, P., Valli, A., Kauch, A., Li, G. & Held, K., 11 Mar 2019, In : Physical Review B. 99, 12, 125111.

Research output: Contribution to journalArticleResearchpeer-review

Physics-informed transfer path analysis with parameter estimation using Gaussian processes

Albert, C., Sep 2019, International Congress on Acoustics.

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

Runaway electron modelling in the self-consistent core European Transport Simulator

EUROfusion-IM Team, 7 Jun 2019, In : Nuclear fusion. 59, 7, 076024.

Research output: Contribution to journalArticleResearchpeer-review

Superconductivity in sodalite-like yttrium hydride clathrates

Heil, C., Di Cataldo, S., Bachelet, G. B. & Boeri, L., 10 Jun 2019, In : Physical Review / B. 99, 22, 6 p., 220502.

Research output: Contribution to journalArticleResearchpeer-review

Thermopower of the electron-doped manganese pnictide LaMnAsO

Zingl, M., Kraberger, G. J. & Aichhorn, M., 24 Jul 2019, In : Physical Review Materials. 3, 7, 7 p., 075404 .

Research output: Contribution to journalArticleResearchpeer-review

Open Access
File

Three-dimensional geometric integrator for charged particle orbits in toroidal fusion devices

Eder, M., Albert, C. G., Bauer, L. M. P., Kasilov, S. & Kernbichler, W., 2019, Euroophysics Conference Abstracts. European Physical Society (EPS), Vol. 43C. p. P5.1100 - P5.1100 4 p.

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

Unraveling the Origin of the Apparent Charge of Zwitterionic Lipid Layers

Dreier, L. B., Wolde-Kidan, A., Bonthuis, D. J., Netz, R. R., Backus, E. H. G. & Bonn, M., 17 Oct 2019, In : Journal of Physical Chemistry Letters. 10, 20, p. 6355-6359 5 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access