Institute of Theoretical and Computational Physics (5150)

  • 8010

    Petersgasse 16 Graz

    Austria

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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

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

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
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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
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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
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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

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

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., Dec 2019, (Submitted) In : New journal of physics . 22, 063049, 063049.

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
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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
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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, p. 123035

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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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

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
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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

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
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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
2018

Ab-initio study of ABiO3 (A=Ba, Sr, Ca) under high pressure

Smolyanyuk, A., Franchini, C. & Boeri, L., 2018, In : Physical Review / B. 98, 115158.

Research output: Contribution to journalArticleResearchpeer-review

Absence of superconductivity in iron polyhydrides at high pressures

Heil, C., Bachelet, G. B. & Boeri, L., 13 Jun 2018, In : Physical Review / B. 97, 214510.

Research output: Contribution to journalArticleResearchpeer-review

Analysis of femtosecond pump-probe photoelectron-photoion coincidence measurements applying Bayesian probability theory

Rumetshofer, M., Heim, P., Thaler, B., Ernst, W. E., Koch, M. & von der Linden, W., 7 Jun 2018, In : Physical review / A. 97, 6, 062503.

Research output: Contribution to journalArticleResearchpeer-review

A real-frequency solver for the Anderson impurity model based on bath optimization and cluster perturbation theory

Zingl, M., Nuss, M., Bauernfeind, D. & Aichhorn, M., 1 May 2018, In : Physica B: Condensed Matter. 537, p. 254

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Charge redistribution in correlated heterostuctures within nonequilibrium real-space dynamical mean-field theory

Titvinidze, I., Sorantin, M. E., Dorda, A., Von Der Linden, W. & Arrigoni, E., 27 Jul 2018, In : Physical Review / B. 98, 3, 035146.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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Charge self-consistent many-body corrections using optimized projected localized orbitals

Schüler, M., Peil, O., Kraberger, G. J., Pordzik, R., Marsman, M., Kresse, G., Wehling, T. & Aichhorn, M., 2018, In : Journal of physics / Condensed matter. 30, 47, 10 p., 475901.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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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

District energy systems: Modelling paradigms and general-purpose tools

Schweiger, G., Heimrath, R., Falay, B., O'Donovan, K., Nageler, P., Pertschy, R., Engel, G., Streicher, W. & Leusbrock, I., 1 Dec 2018, In : Energy. p. 1326-1340

Research output: Contribution to journalArticleResearchpeer-review

Dynamical mean-field theory on the real-frequency axis: p-d hybridization and atomic physics in SrMnO3

Bauernfeind, D., Zingl, M., Triebl, R., Evertz, H. G. & Aichhorn, M., 27 Mar 2018, In : Physical Review / B. 97, 115156

Research output: Contribution to journalArticleResearchpeer-review

Entanglement negativity bounds for fermionic Gaussian states

Eisert, J., Eisler, V. & Zimborás, Z., 13 Apr 2018, In : Physical Review / B. 97, 16, 12 p., 165123.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
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