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Theoretical and Computational Physics (LTC)

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Publications

LTC Publications (starting 2021)

  • Chen A, Brand H, Helbig T, Hofmann T, Imhof S, Fritzsche A, et al.
    Hyperbolic matter in electrical circuits with tunable complex phases
    Nature Communications. 2023; 14: 622 (8 pp.). https://doi.org/10.1038/s41467-023-36359-6
    DORA PSI
  • Das A, Ott C, Pechimuthu D, Moosavi R, Stoica M, Derlet PM, et al.
    Shear-band cavitation determines the shape of the stress-strain curve of metallic glasses
    Physical Review Materials. 2023; 7(2): 023602 (11 pp.). https://doi.org/10.1103/PhysRevMaterials.7.023602
    DORA PSI
  • Dubbert J, Valtolina M, Huber A, Scherz TD, Wölper C, Daniliuc CG, et al.
    Tuning the emission behaviour of halogenated bridged ethers in solution, as solids and as aggregates by chalcogen substitution
    ChemPhotoChem. 2023; 7(1): e202200169 (8 pp.). https://doi.org/10.1002/cptc.202200169
    DORA PSI
  • Grinenko V, Sarkar R, Ghosh S, Das D, Guguchia Z, Luetkens H, et al.
    μSR measurements on Sr2RuO4 under ⟨110⟩ uniaxial stress
    Physical Review B. 2023; 107(2): 024508 (8 pp.). https://doi.org/10.1103/PhysRevB.107.024508
    DORA PSI
  • Gruhl T, Weinert T, Rodrigues MJ, Milne CJ, Ortolani G, Nass K, et al.
    Ultrafast structural changes direct the first molecular events of vision
    Nature. 2023. https://doi.org/10.1038/s41586-023-05863-6
    DORA PSI
  • Jamadagni A, Kazemi J, Weimer H
    Learning of error statistics for the detection of quantum phases
    Physical Review B. 2023; 107(7): 075146 (9 pp.). https://doi.org/10.1103/PhysRevB.107.075146
    DORA PSI
  • Jobin M-L, De Smedt-Peyrusse V, Ducrocq F, Baccouch R, Oummadi A, Pedersen MH, et al.
    Impact of membrane lipid polyunsaturation on dopamine D2 receptor ligand binding and signaling
    Molecular Psychiatry. 2023. https://doi.org/10.1038/s41380-022-01928-6
    DORA PSI
  • Kim AJ, Lenk K, Li J, Werner P, Eckstein M
    Vertex-based diagrammatic treatment of light-matter-coupled systems
    Physical Review Letters. 2023; 130(3): 036901 (6 pp.). https://doi.org/10.1103/PhysRevLett.130.036901
    DORA PSI
  • Lee Y, Son S, Kim C, Kang S, Shen J, Kenzelmann M, et al.
    Giant magnetic anisotropy in the atomically thin van der Waals antiferromagnet FePS3
    Advanced Electronic Materials. 2023; 9(2): 2200650 (8 pp.). https://doi.org/10.1002/aelm.202200650
    DORA PSI
  • Omiya K, Müller M
    Quantum many-body scars in bipartite Rydberg arrays originating from hidden projector embedding
    Physical Review A. 2023; 107(2): 023318 (20 pp.). https://doi.org/10.1103/PhysRevA.107.023318
    DORA PSI
  • Qu J, Han X, Sakamoto S, Jia CJ, Liu J, Li H, et al.
    Reversal of spin-polarization near the Fermi level of the Rashba semiconductor BiTeCl
    npj Quantum Materials. 2023; 8(1): 13 (6 pp.). https://doi.org/10.1038/s41535-023-00546-x
    DORA PSI
  • Aksoy ÖM, Mudry C
    Elementary derivation of the stacking rules of invertible fermionic topological phases in one dimension
    Physical Review B. 2022; 106(3): 035117 (22 pp.). https://doi.org/10.1103/PhysRevB.106.035117
    DORA PSI
  • Beck S, Hampel A, Zingl M, Timm C, Ramires A
    Effects of strain in multiorbital superconductors: the case of Sr2RuO4
    Physical Review Research. 2022; 4(2): 023060 (7 pp.). https://doi.org/10.1103/PhysRevResearch.4.023060
    DORA PSI
  • Beckert A, Grimm M, Hermans RI, Freeman JR, Linfield EH, Davies AG, et al.
    Precise determination of the low-energy electronuclear Hamiltonian of LiY1-xHoxF4
    Physical Review B. 2022; 106(11): 115119 (11 pp.). https://doi.org/10.1103/PhysRevB.106.115119
    DORA PSI
  • Bzdušek T, Maciejko J
    Flat bands and band-touching from real-space topology in hyperbolic lattices
    Physical Review B. 2022; 106(15): 155146 (18 pp.). https://doi.org/10.1103/PhysRevB.106.155146
    DORA PSI
  • Chen G, Khosravian M, Lado JL, Ramires A
    Designing spin-textured flat bands in twisted graphene multilayers via helimagnet encapsulation
    2D Materials. 2022; 9(2): 024002 (11 pp.). https://doi.org/10.1088/2053-1583/ac4af8
    DORA PSI
  • Collu G, Bierig T, Krebs A-S, Engilberge S, Varma N, Guixà-González R, et al.
    Chimeric single α-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology
    Structure. 2022; 30(1): 95-106. https://doi.org/10.1016/j.str.2021.09.002
    DORA PSI
  • De Marco J, Tolle L, Halati C-M, Sheikhan A, Läuchli AM, Kollath C
    Level statistics of the one-dimensional ionic Hubbard model
    Physical Review Research. 2022; 4(3): 033119 (11 pp.). https://doi.org/10.1103/PhysRevResearch.4.033119
    DORA PSI
  • Derlet PM, Maaß R
    Optimally rejuvenated model binary glasses
    Physical Review Materials. 2022; 6(12): 125604 (13 pp.). https://doi.org/10.1103/PhysRevMaterials.6.125604
    DORA PSI
  • Fogh E, Mustonen O, Babkevich P, Katukuri VM, Walker HC, Mangin-Thro L, et al.
    Randomness and frustration in a S = 1/2 square-lattice Heisenberg antiferromagnet
    Physical Review B. 2022; 105(18): 184410 (7 pp.). https://doi.org/10.1103/PhysRevB.105.184410
    DORA PSI
  • Haider RS, Matthees ESF, Drube J, Reichel M, Zabel U, Inoue A, et al.
    β-arrestin1 and 2 exhibit distinct phosphorylation-dependent conformations when coupling to the same GPCR in living cells
    Nature Communications. 2022; 13(1): 5638 (17 pp.). https://doi.org/10.1038/s41467-022-33307-8
    DORA PSI
  • Hasik J, Mbeng GB, Capponi S, Becca F, Läuchli AM
    Symmetric projected entangled-pair states analysis of a phase transition in coupled spin-1/2 ladders
    Physical Review B. 2022; 106(12): 125154 (10 pp.). https://doi.org/10.1103/PhysRevB.106.125154
    DORA PSI
  • Herman A, Kraus S, Tsukamoto S, Spieker L, Caciuc V, Lojewski T, et al.
    Tailoring magnetic anisotropy by graphene-induced selective skyhook effect on 4f-metals
    Nanoscale. 2022; 14(20): 7682-7691. https://doi.org/10.1039/d2nr01458k
    DORA PSI
  • Hofhuis K, Wang X, Hrabec A, Luo Z, Liu Z, Gambardella P, et al.
    Geometrical control of disorder-induced magnetic domains in planar synthetic antiferromagnets
    Physical Review Materials. 2022; 6(3): L033001 (7 pp.). https://doi.org/10.1103/PhysRevMaterials.6.L033001
    DORA PSI
  • Hofhuis K, Skjærvø SH, Parchenko S, Arava H, Luo Z, Kleibert A, et al.
    Real-space imaging of phase transitions in bridged artificial kagome spin ice
    Nature Physics. 2022; 18: 699-705. https://doi.org/10.1038/s41567-022-01564-5
    DORA PSI
  • Hollingsworth A, Barthe M-F, Lavrentiev MY, Derlet PM, Dudarev SL, Mason DR, et al.
    Comparative study of deuterium retention and vacancy content of self-ion irradiated tungsten
    Journal of Nuclear Materials. 2022; 558: 153373 (13 pp.). https://doi.org/10.1016/j.jnucmat.2021.153373
    DORA PSI
  • Kim AJ, Li J, Eckstein M, Werner P
    Pseudoparticle vertex solver for quantum impurity models
    Physical Review B. 2022; 106(8): 085124 (15 pp.). https://doi.org/10.1103/PhysRevB.106.085124
    DORA PSI
  • Lenggenhager PM, Stegmaier A, Upreti LK, Hofmann T, Helbig T, Vollhardt A, et al.
    Simulating hyperbolic space on a circuit board
    Nature Communications. 2022; 13(1): 4373 (8 pp.). https://doi.org/10.1038/s41467-022-32042-4
    DORA PSI
  • Lenggenhager PM, Liu X, Neupert T, Bzdušek T
    Triple nodal points characterized by their nodal-line structure in all magnetic space groups
    Physical Review B. 2022; 106(8): 085128 (36 pp.). https://doi.org/10.1103/PhysRevB.106.085128
    DORA PSI
  • Lenggenhager PM, Liu X, Neupert T, Bzdušek T
    Universal higher-order bulk-boundary correspondence of triple nodal points
    Physical Review B. 2022; 106(8): 085129 (43 pp.). https://doi.org/10.1103/PhysRevB.106.085129
    DORA PSI
  • Lenk K, Li J, Werner P, Eckstein M
    Dynamical mean-field study of a photon-mediated ferroelectric phase transition
    Physical Review B. 2022; 106(24): 245124 (18 pp.). https://doi.org/10.1103/PhysRevB.106.245124
    DORA PSI
  • Li J, Schamriß L, Eckstein M
    Effective theory of lattice electrons strongly coupled to quantum electromagnetic fields
    Physical Review B. 2022; 105(16): 165121 (16 pp.). https://doi.org/10.1103/PhysRevB.105.165121
    DORA PSI
  • Ma J, Nie S, Gui X, Naamneh M, Jandke J, Xi C, et al.
    Multiple mobile excitons manifested as sidebands in quasi-one-dimensional metallic TaSe3
    Nature Materials. 2022; 21: 423-429. https://doi.org/10.1038/s41563-022-01201-9
    DORA PSI
  • Mous S, Gotthard G, Ehrenberg D, Sen S, Weinert T, Johnson PJM, et al.
    Dynamics and mechanism of a light-driven chloride pump
    Science. 2022; 375(6583): 845-851. https://doi.org/10.1126/science.abj6663
    DORA PSI
  • Murakami Y, Schüler M
    Doping and gap size dependence of high-harmonic generation in graphene: importance of consistent formulation of light-matter coupling
    Physical Review B. 2022; 106(3): 035204 (13 pp.). https://doi.org/10.1103/PhysRevB.106.035204
    DORA PSI
  • Nelson A, Neupert T, Alexandradinata A, Bzdušek T
    Delicate topology protected by rotation symmetry: crystalline Hopf insulators and beyond
    Physical Review B. 2022; 106(7): 075124 (84 pp.). https://doi.org/10.1103/PhysRevB.106.075124
    DORA PSI
  • Nikitin SE, Fåk B, Krämer KW, Fennell T, Normand B, Läuchli AM, et al.
    Thermal evolution of Dirac magnons in the honeycomb ferromagnet CrBr3
    Physical Review Letters. 2022; 129(12): 127201 (6 pp.). https://doi.org/10.1103/PhysRevLett.129.127201
    DORA PSI
  • Omiya K, Nakagawa YO, Koh S, Mizukami W, Gao Q, Kobayashi T
    Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction
    Journal of Chemical Theory and Computation. 2022; 18(2): 741-748. https://doi.org/10.1021/acs.jctc.1c00877
    DORA PSI
  • Plouffe B, Karamitri A, Flock T, Gallion JM, Houston S, Daly CA, et al.
    Structural elements directing G proteins and β-arrestin interactions with the human melatonin type 2 receptor revealed by natural variants
    ACS Pharmacology & Translational Science. 2022; 5(2): 89-101. https://doi.org/10.1021/acsptsci.1c00239
    DORA PSI
  • Rakcheev A, Läuchli AM
    Dynamics of a pair of magnetic dipoles with nonreciprocal interactions due to a moving conductor
    Physical Review B. 2022; 106(17): 174435 (16 pp.). https://doi.org/10.1103/PhysRevB.106.174435
    DORA PSI
  • Rakcheev A, Läuchli AM
    Estimating heating times in periodically driven quantum many-body systems via avoided crossing spectroscopy
    Physical Review Research. 2022; 4(4): 043174 (18 pp.). https://doi.org/10.1103/PhysRevResearch.4.043174
    DORA PSI
  • Ramires A
    Carbon's lesson from a heavy friend
    Nature. 2022; 608(7923): 474-475. https://doi.org/10.1038/d41586-022-02108-w
    DORA PSI
  • Ramires A
    Nodal gaps from local interactions in Sr2RuO4
    In: Strongly correlated electron systems (SCES) 2020 27/09/2021 - 01/10/2021 Campinas, Brazil. Vol. 2164. Journal of physics: conference series. IOP Publishing; 2022:012002 (6 pp.). https://doi.org/10.1088/1742-6596/2164/1/012002
    DORA PSI
  • Ramires A
    Nonunitary superconductivity in complex quantum materials
    Journal of Physics: Condensed Matter. 2022; 34(30): 304001 (16 pp.). https://doi.org/10.1088/1361-648X/ac6d3a
    DORA PSI
  • Ramires A
    Symmetry aspects of chiral superconductors
    Contemporary Physics. 2022. https://doi.org/10.1080/00107514.2022.2140499
    DORA PSI
  • Rizzardi Q, Derlet PM, Maaß R
    Intermittent microplasticity in the presence of a complex microstructure
    Physical Review Materials. 2022; 6(7): 073602 (9 pp.). https://doi.org/10.1103/PhysRevMaterials.6.073602
    DORA PSI
  • Schüler M, Pincelli T, Dong S, Devereaux TP, Wolf M, Rettig L, et al.
    Polarization-modulated angle-resolved photoemission spectroscopy: toward circular dichroism without circular photons and bloch wave-function reconstruction
    Physical Review X. 2022; 12: 011019 (16 pp.). https://doi.org/10.1103/PhysRevX.12.011019
    DORA PSI
  • Schüler M, Beaulieu S
    Probing topological Floquet states in WSe2 using circular dichroism in time- and angle-resolved photoemission spectroscopy
    Communications Physics. 2022; 5(1): 164 (11 pp.). https://doi.org/10.1038/s42005-022-00944-w
    DORA PSI
  • Shibata Y, Sigrist M
    Strain modulation effects on the topological properties of a chiral p-wave superconductor
    Physical Review Research. 2022; 4(4): 043044 (10 pp.). https://doi.org/10.1103/PhysRevResearch.4.043044
    DORA PSI
  • Stahl C, Dasari N, Li J, Picano A, Werner P, Eckstein M
    Memory truncated Kadanoff-Baym equations
    Physical Review B. 2022; 105(11): 115146 (13 pp.). https://doi.org/10.1103/PhysRevB.105.115146
    DORA PSI
  • Testa L, Babkevich P, Kato Y, Kimura K, Favre V, Rodriguez-Rivera JA, et al.
    Spin dynamics in the square-lattice cupola system Ba(TiO)Cu4(PO4)4
    Physical Review B. 2022; 105(21): 214406 (13 pp.). https://doi.org/10.1103/PhysRevB.105.214406
    DORA PSI
  • Torrens-Fontanals M, Peralta-García A, Talarico C, Guixà-González R, Giorgino T, Selent J
    SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions
    Nucleic Acids Research. 2022; 50(D1): D858-D866. https://doi.org/10.1093/nar/gkab977
    DORA PSI
  • Urwyler DM, Lenggenhager PM, Boettcher I, Thomale R, Neupert T, Bzdušek T
    Hyperbolic topological band insulators
    Physical Review Letters. 2022; 129(24): 246402 (7 pp.). https://doi.org/10.1103/PhysRevLett.129.246402
    DORA PSI
  • Weber L, Honecker A, Normand B, Corboz P, Mila F, Wessel S
    Quantum Monte Carlo simulations in the trimer basis: first-order transitions and thermal critical points in frustrated trilayer magnets
    SciPost Physics. 2022; 12(2): 054 (29 pp.). https://doi.org/10.21468/SCIPOSTPHYS.12.2.054
    DORA PSI
  • White JS, Karube K, Ukleev V, Derlet PM, Cubitt R, Dewhurst CD, et al.
    Small-angle neutron scattering study of mesoscale magnetic disordering and skyrmion phase suppression in the frustrated chiral magnet Co6.75Zn6.75Mn6.5
    Journal of Applied Crystallography. 2022; 55: 1219-1231. https://doi.org/10.1107/S1600576722007403
    DORA PSI
  • Wäckerlin C, Cahlík A, Goikoetxea J, Stetsovych O, Medvedeva D, Redondo J, et al.
    Role of the magnetic anisotropy in atomic-spin sensing of 1D molecular chains
    ACS Nano. 2022; 16(10): 16402-16413. https://doi.org/10.1021/acsnano.2c05609
    DORA PSI
  • Zhang S-B, Denner MM, Bzdušek T, Sentef MA, Neupert T
    Symmetry breaking and spectral structure of the interacting Hatano-Nelson model
    Physical Review B. 2022; 106(12): L121102 (8 pp.). https://doi.org/10.1103/PhysRevB.106.L121102
    DORA PSI
  • Zinkl B, Ramires A
    Sensitivity of superconducting states to the impurity location in layered materials
    Physical Review B. 2022; 106(1): 014515 (15 pp.). https://doi.org/10.1103/PhysRevB.106.014515
    DORA PSI
  • Aeschlimann R, Grisolia MN, Sanchez-Santolino G, Varignon J, Choueikani F, Mattana R, et al.
    X-ray absorption and x-ray magnetic circular dichroism in bulk and thin films of ferrimagnetic GdTiO3
    Physical Review Materials. 2021; 5(1): 014407 (9 pp.). https://doi.org/10.1103/PhysRevMaterials.5.014407
    DORA PSI
  • Aksoy ÖM, Tiwari A, Mudry C
    Lieb-Schultz-Mattis type theorems for Majorana models with discrete symmetries
    Physical Review B. 2021; 104(7): 075146 (42 pp.). https://doi.org/10.1103/PhysRevB.104.075146
    DORA PSI
  • Delley B, van den Bergh F
    Fast full-field modulation transfer function analysis for photographic lens quality assessment
    Applied Optics. 2021; 60(8): 2197-2206. https://doi.org/10.1364/AO.415974
    DORA PSI
  • Denner MM, Skurativska A, Schindler F, Fischer MH, Thomale R, Bzdušek T, et al.
    Exceptional topological insulators
    Nature Communications. 2021; 12(1): 5681 (7 pp.). https://doi.org/10.1038/s41467-021-25947-z
    DORA PSI
  • Derlet PM, Bocquet H, Maaß R
    Viscosity and transport in a model fragile metallic glass
    Physical Review Materials. 2021; 5(12): 125601 (7 pp.). https://doi.org/10.1103/PhysRevMaterials.5.125601
    DORA PSI
  • Hegron A, Huh E, Deupi X, Sokrat B, Gao W, Le Gouill C, et al.
    Identification of key regions mediating human melatonin type 1 receptor functional selectivity revealed by natural variants
    ACS Pharmacology & Translational Science. 2021; 4(5): 1614-1627. https://doi.org/10.1021/acsptsci.1c00157
    DORA PSI
  • Möckli D, Ramires A
    Superconductivity in disordered locally noncentrosymmetric materials: an application to CeRh2As2
    Physical Review B. 2021; 104(13): 134517 (17 pp.). https://doi.org/10.1103/PhysRevB.104.134517
    DORA PSI
  • Möckli D, Ramires A
    Two scenarios for superconductivity in CeRh2As2
    Physical Review Research. 2021; 3(2): 023204 (6 pp.). https://doi.org/10.1103/PhysRevResearch.3.023204
    DORA PSI
  • Pocs CA, Siegfried PE, Xing J, Sefat AS, Hermele M, Normand B, et al.
    Systematic extraction of crystal electric-field effects and quantum magnetic model parameters in triangular rare-earth magnets
    Physical Review Research. 2021; 3(4): 043202 (16 pp.). https://doi.org/10.1103/PhysRevResearch.3.043202
    DORA PSI
  • Ramires A, Lado JL
    Emulating heavy fermions in twisted trilayer graphene
    Physical Review Letters. 2021; 127(2): 026401 (6 pp.). https://doi.org/10.1103/PhysRevLett.127.026401
    DORA PSI
  • Romantini N, Alam S, Dobitz S, Spillmann M, De Foresta M, Schibli R, et al.
    Exploring the signaling space of a GPCR using bivalent ligands with a rigid oligoproline backbone
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2021; 118(48): e2108776118 (8 pp.). https://doi.org/10.1073/pnas.2108776118
    DORA PSI
  • Ros V, Müller M
    Fluctuation-driven transitions in localized insulators: intermittent metallicity and path chaos precede delocalization
    Physical Review B. 2021; 104(9): 094205 (21 pp.). https://doi.org/10.1103/PhysRevB.104.094205
    DORA PSI
  • Ryzhkov MV, Enyashin AN, Delley B
    First-principles study on the plutonium ions interaction with diamide molecules in acid solutions
    International Journal of Quantum Chemistry. 2021; 121(16): e26681 (16 pp.). https://doi.org/10.1002/qua.26681
    DORA PSI
  • Ryzhkov MV, Enyashin AN, Delley B
    Plutonium complexes in water: new approach to ab initio modeling
    Radiochimica Acta. 2021; 109(5): 327-342. https://doi.org/10.1515/ract-2020-0091
    DORA PSI
  • Voss JH, Nagel J, Rafehi M, Guixà-González R, Malfacini D, Patt J, et al.
    Unraveling binding mechanism and kinetics of macrocyclic Gαq protein inhibitors
    Pharmacological Research. 2021; 173: 105880 (16 pp.). https://doi.org/10.1016/j.phrs.2021.105880
    DORA PSI
  • Wu N, Olechwier AM, Brunner C, Edwards PC, Tsai C-J, Tate CG, et al.
    High-mass MALDI-MS unravels ligand-mediated G protein-coupling selectivity to GPCRs
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2021; 118(31): e2024146118 (9 pp.). https://doi.org/10.1073/pnas.2024146118
    DORA PSI
  • de Groot FMF, Elnaggar H, Frati F, Wang R-pan, Delgado-Jaime MU, van Veenendaal M, et al.
    2p x-ray absorption spectroscopy of 3d transition metal systems
    Journal of Electron Spectroscopy and Related Phenomena. 2021; 249: 147061 (23 pp.). https://doi.org/10.1016/j.elspec.2021.147061
    DORA PSI
  • Scaramucci A, Shinaoka H, Mostovoy MV, Lin R, Mudry C, Müller M
    Spiral order from orientationally correlated random bonds in classical XY models
    Physical Review Research. 2020; 2(1): 013273 (23 pp.). https://doi.org/10.1103/PhysRevResearch.2.013273
    DORA PSI
  • Suh HG, Menke H, Brydon PMR, Timm C, Ramires A, Agterberg DF
    Stabilizing even-parity chiral superconductivity in Sr2RuO4
    Physical Review Research. 2020; 2(3): 032023(R) (6 pp.). https://doi.org/10.1103/PhysRevResearch.2.032023
    DORA PSI

CMT Group Publications prior to the LTC integration

  • Choo K, Lapierre B, Kuhlenkamp C, Tiwari A, Neupert T, Chitra R
    Thermal and dissipative effects on the heating transition in a driven critical system
    SciPost Physics. 2022; 13(5): 104 (26 pp.). https://doi.org/10.21468/SCIPOSTPHYS.13.5.104
    DORA PSI
  • Jahin A, Tiwari A, Wang Y
    Higher-order topological superconductors from Weyl semimetals
    SciPost Physics. 2022; 12(2): 053 (34 pp.). https://doi.org/10.21468/SCIPOSTPHYS.12.2.053
    DORA PSI
  • Khudorozhkov A, Tiwari A, Chamon C, Neupert T
    Hilbert space fragmentation in a 2D quantum spin system with subsystem symmetries
    SciPost Physics. 2022; 13(4): 098 (34 pp.). https://doi.org/10.21468/SciPostPhys.13.4.098
    DORA PSI
  • Li M-H, Neupert T, Parameswaran SA, Tiwari A
    Anomalous gapped boundaries between surface topological orders in higher-order topological insulators and superconductors with inversion symmetry
    Physical Review B. 2022; 106(12): 125121 (19 pp.). https://doi.org/10.1103/PhysRevB.106.125121
    DORA PSI
  • Accaputo G, Derlet PM, Arbenz P
    Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials
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    Retinal proteins - you can teach an old dog new tricks
    Biochimica et Biophysica Acta: Bioenergetics. 2014; 1837(5): 531-532. https://doi.org/10.1016/j.bbabio.2014.02.019
    DORA PSI
  • Iadecola T, Neupert T, Chamon C, Mudry C
    Accessing topological order in fractionalized liquids with gapped edges
    Physical Review B. 2014; 90(20): 205115 (13 pp.). https://doi.org/10.1103/PhysRevB.90.205115
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  • Jayachandran R, Liu X, BoseDasgupta S, Müller P, Zhang C-L, Moshous D, et al.
    Coronin 1 regulates cognition and behavior through modulation of cAMP/Protein kinase A signaling
    PLoS Biology. 2014; 12(3): e1001820 (21 pp.). https://doi.org/10.1371/journal.pbio.1001820
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  • Komodziński K, Lepczyńska J, Gdaniec Z, Bartolotti L, Delley B, Franzen S, et al.
    Photochemistry of 6-amino-2-azido, 2-amino-6-azido and 2,6-diazido analogues of purine ribonucleosides in aqueous solutions
    Photochemical and Photobiological Sciences. 2014; 13(3): 563-573. https://doi.org/10.1039/c3pp50385b
    DORA PSI
  • Kourtis S, Neupert T, Chamon C, Mudry C
    Fractional Chern insulators with strong interactions that far exceed band gaps
    Physical Review Letters. 2014; 112(12): 126806 (5 pp.). https://doi.org/10.1103/PhysRevLett.112.126806
    DORA PSI
  • Manni S, Mineev KS, Usmanova D, Lyukmanova EN, Shulepko MA, Kirpichnikov MP, et al.
    Structural and functional characterization of alternative transmembrane domain conformations in VEGF receptor 2 activation
    Structure. 2014; 22(8): 1077-1089. https://doi.org/10.1016/j.str.2014.05.010
    DORA PSI
  • Mena M, Perry RS, Perring TG, Le MD, Guerrero S, Storni M, et al.
    Spin-wave spectrum of the quantum ferromagnet on the pyrochlore lattice Lu2V2O7
    Physical Review Letters. 2014; 113(4): 047202 (5 pp.). https://doi.org/10.1103/PhysRevLett.113.047202
    DORA PSI
  • Neupert T, Chamon C, Mudry C, Thomale R
    Wire deconstructionism of two-dimensional topological phases
    Physical Review B. 2014; 90(20): 205101 (18 pp.). https://doi.org/10.1103/PhysRevB.90.205101
    DORA PSI
  • Obuse H, Ryu S, Furusaki A, Mudry C
    Spin-directed network model for the surface states of weak three-dimensional Z2 topological insulators
    Physical Review B. 2014; 89(15): 155315 (28 pp.). https://doi.org/10.1103/PhysRevB.89.155315
    DORA PSI
  • Ostermaier MK, Peterhans C, Jaussi R, Deupi X, Standfuss J
    Functional map of arrestin-1 at single amino acid resolution
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2014; 111(5): 1825-1830. https://doi.org/10.1073/pnas.1319402111
    DORA PSI
  • Plumb NC, Salluzzo M, Razzoli E, Månsson M, Falub M, Krempasky J, et al.
    Mixed dimensionality of confined conducting electrons in the surface region of SrTiO3
    Physical Review Letters. 2014; 113(8): 086801 (5 pp.). https://doi.org/10.1103/PhysRevLett.113.086801
    DORA PSI
  • Ryzhkov MV, Mirmelstein A, Delley B, Yu S-W, Chung BW, Tobin JG
    The effects of mesoscale confinement in Pu clusters and isolated particles
    Journal of Electron Spectroscopy and Related Phenomena. 2014; 194: 45-56. https://doi.org/10.1016/j.elspec.2013.11.015
    DORA PSI
  • Staub U, De Souza RA, Beaud P, Möhr-Vorobeva E, Ingold G, Caviezel A, et al.
    Persistence of magnetic order in a highly excited Cu2+ state in CuO
    Physical Review B. 2014; 89(22): 220401 (5 pp.). https://doi.org/10.1103/PhysRevB.89.220401
    DORA PSI
  • Swayamjyoti S, Löffler JF, Derlet PM
    Local structural excitations in model glasses
    Physical Review B. 2014; 89(22): 224201 (11 pp.). https://doi.org/10.1103/PhysRevB.89.224201
    DORA PSI
  • Tiwari A, Chen X, Neupert T, Santos LH, Ryu S, Chamon C, et al.
    Topological BF theory of the quantum hydrodynamics of incompressible polar fluids
    Physical Review B. 2014; 90(23): 235118 (11 pp.). https://doi.org/10.1103/PhysRevB.90.235118
    DORA PSI
  • Vallés A, Derlet P, Crespo D, Pineda E
    Molecular dynamics computation of the dynamical structure factor of a Lennard-Jones glass: propagation of acoustic modes at the nm-scale
    Journal of Alloys and Compounds. 2014; 586(Suppl. 1): S250-S253. https://doi.org/10.1016/j.jallcom.2012.11.174
    DORA PSI
  • Vicario C, Ruchert C, Ardana-Lamas F, Derlet PM, Tudu B, Luning J, et al.
    Terahertz-driven non-resonant magnetization dynamics in cobalt
    Presented at: 2014 Conference on Lasers and Electro-Optics (CLEO); 8-13 June 2014; San Jose, CA. https://doi.org/10.1364/CLEO_SI.2014.SF2J.1
    DORA PSI
  • Yoo S-H, Lee J-H, Delley B, Soon A
    Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology
    Physical Chemistry Chemical Physics. 2014; 16(34): 18570-18577. https://doi.org/10.1039/c4cp02384f
    DORA PSI
  • Arahata E, Neupert T, Sigrist M
    Spin currents and spontaneous magnetization at twin boundaries of noncentrosymmetric superconductors
    Physical Review B. 2013; 87(22): 220504 (4 pp.). https://doi.org/10.1103/PhysRevB.87.220504
    DORA PSI
  • Biswas PK, Luetkens H, Neupert T, Stürzer T, Baines C, Pascua G, et al.
    Evidence for superconductivity with broken time-reversal symmetry in locally noncentrosymmetric SrPtAs
    Physical Review B. 2013; 87(18): 180503 (5 pp.). https://doi.org/10.1103/PhysRevB.87.180503
    DORA PSI
  • Brueckner F, Piscitelli CL, Tsai C-J, Standfuss J, Deupi X, Schertler GFX
    Structure of β-Adrenergic receptors
    In: Conn PM, ed. G protein coupled receptors. Structure. Methods in enzymology. San Diego: Elsevier; 2013:117-151. https://doi.org/10.1016/B978-0-12-391861-1.00006-X
    DORA PSI
  • Derlet PM, Maaß R
    Linking high- and low-temperature plasticity in bulk metallic glasses: thermal activation, extreme value statistics and kinetic freezing
    Philosophical Magazine. 2013; 93(34): 4232-4263. https://doi.org/10.1080/14786435.2013.826396
    DORA PSI
  • Derlet PM, Maaß R
    Micro-plasticity and intermittent dislocation activity in a simplified micro-structural model
    Modelling and Simulation in Materials Science and Engineering. 2013; 21(3): 035007 (22 pp.). https://doi.org/10.1088/0965-0393/21/3/035007
    DORA PSI
  • Fair KM, Cui XY, Li L, Shieh CC, Zheng RK, Liu ZW, et al.
    Hydrogen adsorption capacity of adatoms on double carbon vacancies of graphene: a trend study from first principles
    Physical Review B. 2013; 87(1): 014102 (7 pp.). https://doi.org/10.1103/PhysRevB.87.014102
    DORA PSI
  • Farhan A, Derlet PM, Kleibert A, Balan A, Chopdekar RV, Wyss M, et al.
    Direct observation of thermal relaxation in artificial spin ice
    Physical Review Letters. 2013; 111(5): 057204 (5 pp.). https://doi.org/10.1103/PhysRevLett.111.057204
    DORA PSI
  • Farhan A, Derlet PM, Kleibert A, Balan A, Chopdekar RV, Wyss M, et al.
    Exploring hyper-cubic energy landscapes in thermally active finite artificial spin-ice systems
    Nature Physics. 2013; 9(6): 375-382. https://doi.org/10.1038/nphys2613
    DORA PSI
  • García-Martínez NA, Grushin AG, Neupert T, Valenzuela B, Castro EV
    Interaction-driven phases in the half-filled spinless honeycomb lattice from exact diagonalization
    Physical Review B. 2013; 88(24): 245123 (7 pp.). https://doi.org/10.1103/PhysRevB.88.245123
    DORA PSI
  • Koziatek P, Barrat J-L, Derlet P, Rodney D
    Inverse Meyer-Neldel behavior for activated processes in model glasses
    Physical Review B. 2013; 87(22): 224105 (4 pp.). https://doi.org/10.1103/PhysRevB.87.224105
    DORA PSI
  • Le Guyader L, Kleibert A, Nolting F, Joly L, Derlet PM, Pisarev RV, et al.
    Dynamics of laser-induced spin reorientation in Co/SmFeO3 heterostructure
    Physical Review B. 2013; 87(5): 054437 (11 pp.). https://doi.org/10.1103/PhysRevB.87.054437
    DORA PSI
  • Legner M, Neupert T
    Relating the entanglement spectrum of noninteracting band insulators to their quantum geometry and topology
    Physical Review B. 2013; 88(11): 115114 (9 pp.). https://doi.org/10.1103/PhysRevB.88.115114
    DORA PSI
  • Maaß R, Derlet PM, Greer JR
    Small-scale plasticity: insights into dislocation avalanche velocities
    Scripta Materialia. 2013; 69(8): 586-589. https://doi.org/10.1016/j.scriptamat.2013.07.005
    DORA PSI
  • Monney C, Uldry A, Zhou KJ, Krzton-Maziopa A, Pomjakushina E, Strocov VN, et al.
    Resonant inelastic x-ray scattering at the Fe L3 edge of the one-dimensional chalcogenide BaFe2Se3
    Physical Review B. 2013; 88(16): 165103 (9 pp.). https://doi.org/10.1103/PhysRevB.88.165103
    DORA PSI
  • Neupert T, Chamon C, Mudry C
    Measuring the quantum geometry of Bloch bands with current noise
    Physical Review B. 2013; 87(24): 245103 (5 pp.). https://doi.org/10.1103/PhysRevB.87.245103
    DORA PSI
  • Posternak M, Berner S, Baldereschi A, Delley B
    Enhancing hydrophilicity of anatase TiO2 surfaces by deposition of alkaline earths: the case of Ca
    Journal of Physical Chemistry C. 2013; 117(49): 26013-26020. https://doi.org/10.1021/jp406817k
    DORA PSI
  • Ryzhkov MV, Delley B
    Electronic structure of predicted endohedral fullerenes An@C40 (An = Th-Md)
    Computational and Theoretical Chemistry. 2013; 1013: 70-77. https://doi.org/10.1016/j.comptc.2013.03.009
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  • Soon A, Wallman J, Delley B, Stampfl C
    Early transition metal dopants in cuprous oxide: to spin or not to spin
    Current Applied Physics. 2013; 13(8): 1707-1712. https://doi.org/10.1016/j.cap.2013.06.019
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  • Tracey DF, Delley B, McKenzie DR, Warschkow O
    Molecular adsorption on silicon (001): a systematic evaluation of size effects in slab and cluster models
    AIP Advances. 2013; 3(4): 042117 (20 pp.). https://doi.org/10.1063/1.4802837
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  • Vicario C, Ruchert C, Ardana-Lamas F, Derlet PM, Tudu B, Luning J, et al.
    Off-resonant magnetization dynamics phase-locked to an intense phase-stable terahertz transient
    Nature Photonics. 2013; 7(9): 720-723. https://doi.org/10.1038/nphoton.2013.209
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  • Zaharko O, Pregelj M, Zorko A, Podgajny R, Gukasov A, van Tol J, et al.
    Source of magnetic anisotropy in quasi-two-dimensional XY {Cu4(tetrenH5)W(CN)8]4·7.2H2O)}n bilayer molecular magnet
    Physical Review B. 2013; 87(2): 024406 (10 pp.). https://doi.org/10.1103/PhysRevB.87.024406
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  • d'Ambrumenil N, Morf RH
    Thermopower in the quantum Hall regime
    Physical Review Letters. 2013; 111(13): 136805 (4 pp.). https://doi.org/10.1103/PhysRevLett.111.136805
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  • Chamon C, Mudry C
    Magnetic translation algebra with or without magnetic field in the continuum or on arbitrary Bravais lattices in any dimension
    Physical Review B. 2012; 86(19): 195125 (10 pp.). https://doi.org/10.1103/PhysRevB.86.195125
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  • Chamon C, Hou C-Y, Mudry C, Ryu S, Santos L
    Masses and Majorana fermions in graphene
    Physica Scripta. 2012; T146: 014013 (7 pp.). https://doi.org/10.1088/0031-8949/2012/T146/014013
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  • Cui XY, Soon A, Phillips AE, Zheng RK, Liu ZW, Delley B, et al.
    First principles study of 3d transition metal doped Cu3N
    Journal of Magnetism and Magnetic Materials. 2012; 324(19): 3138-3143. https://doi.org/10.1016/j.jmmm.2012.05.021
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  • Derlet PM
    Landau-Heisenberg Hamiltonian model for FeRh
    Physical Review B. 2012; 85(17): 174431 (15 pp.). https://doi.org/10.1103/PhysRevB.85.174431
    DORA PSI
  • Derlet PM, Maaß R, Löffler JF
    The Boson peak of model glass systems and its relation to atomic structure
    European Physical Journal B: Condensed Matter and Complex Systems. 2012; 85(5): 148 (20 pp.). https://doi.org/10.1140/epjb/e2012-20902-0
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  • Deupi X, Standfuss J, Schertler G
    Conserved activation pathways in G-protein-coupled receptors
    Biochemical Society Transactions. 2012; 40(2): 383-388. https://doi.org/10.1042/BST20120001
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  • Franzen S, Brown D, Gaff J, Delley B
    A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G)
    Journal of Physical Chemistry B. 2012; 116(35): 10514-10521. https://doi.org/10.1021/jp302049p
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  • Fulcher BD, Cui XY, Delley B, Stampfl C
    Hardness analysis of cubic metal mononitrides from first principles
    Physical Review B. 2012; 85(18): 184106 (9 pp.). https://doi.org/10.1103/PhysRevB.85.184106
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  • Grimmer H, Delley B
    Density functional calculations of polysynthetic Brazil twinning in α-quartz
    Acta Crystallographica Section A: Foundations and Advances. 2012; 68(3): 359-365. https://doi.org/10.1107/S0108767312008756
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  • Grushin AG, Neupert T, Chamon C, Mudry C
    Enhancing the stability of a fractional Chern insulator against competing phases
    Physical Review B. 2012; 86(20): 205125 (10 pp.). https://doi.org/10.1103/PhysRevB.86.205125
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  • Hu Y, Borca CN, Kleymenov E, Nachtegaal M, Delley B, Janousch M, et al.
    Experimental and ab initio investigations of the X-ray absorption near edge structure of orthorhombic LuMnO3
    Applied Physics Letters. 2012; 100(25): 252901 (4 pp.). https://doi.org/10.1063/1.4729002
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  • Idhil A, Borca CN, Uldry A-C, Zema N, Turchini S, Catone D, et al.
    The influence of Cr-composition on the local magnetic structure of FeCr alloys
    Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 2012; 284: 1-5. https://doi.org/10.1016/j.nimb.2011.08.071
    DORA PSI
  • Landolt G, Eremeev SV, Koroteev YM, Slomski B, Muff S, Neupert T, et al.
    Disentanglement of surface and bulk rashba spin splittings in noncentrosymmetric BiTeI
    Physical Review Letters. 2012; 109(11): 116403 (5 pp.). https://doi.org/10.1103/PhysRevLett.109.116403
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  • Lee T, Delley B, Stampfl C, Soon A
    Environment-dependent nanomorphology of TiN: the influence of surface vacancies
    Nanoscale. 2012; 4(16): 5183-5188. https://doi.org/10.1039/c2nr31266b
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  • Maaß R, Klaumünzer D, Villard G, Derlet PM, Löffler JF
    Shear-band arrest and stress overshoots during inhomogeneous flow in a metallic glass
    Applied Physics Letters. 2012; 100(7): 071904 (4 pp.). https://doi.org/10.1063/1.3684871
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  • Maaß R, Klaumünzer D, Preiß EI, Derlet PM, Löffler JF
    Single shear-band plasticity in a bulk metallic glass at cryogenic temperatures
    Scripta Materialia. 2012; 66(5): 231-234. https://doi.org/10.1016/j.scriptamat.2011.10.044
    DORA PSI
  • Neupert T, Santos L, Chamon C, Mudry C
    Elementary formula for the Hall conductivity of interacting systems
    Physical Review B. 2012; 86(16): 165133 (7 pp.). https://doi.org/10.1103/PhysRevB.86.165133
    DORA PSI
  • Neupert T, Santos L, Ryu S, Chamon C, Mudry C
    Noncommutative geometry for three-dimensional topological insulators
    Physical Review B. 2012; 86(3): 035125 (33 pp.). https://doi.org/10.1103/PhysRevB.86.035125
    DORA PSI
  • Neupert T, Santos L, Ryu S, Chamon C, Mudry C
    Topological Hubbard model and its high-temperature quantum Hall effect
    Physical Review Letters. 2012; 108(4): 046806 (5 pp.). https://doi.org/10.1103/PhysRevLett.108.046806
    DORA PSI
  • Pregelj M, Zaharko O, Günther A, Loidl A, Tsurkan V, Guerrero S
    Magnetic ground state and two-dimensional behavior in pseudo-kagome layered system Cu3Bi(SeO3)2O2Br
    Physical Review B. 2012; 86(14): 144409 (7 pp.). https://doi.org/10.1103/PhysRevB.86.144409
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  • Rahmeh R, Damian M, Cottet M, Orcel H, Mendre C, Durroux T, et al.
    Structural insights into biased G protein-coupled receptor signaling revealed by fluorescence spectroscopy
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2012; 109(17): 6733-6738. https://doi.org/10.1073/pnas.1201093109
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  • Razzoli E, Kobayashi M, Strocov VN, Delley B, Bukowski Z, Karpinski J, et al.
    Bulk electronic structure of superconducting LaRu2P2 single crystals measured by soft-X-ray angle-resolved photoemission spectroscopy
    Physical Review Letters. 2012; 108(25): 257005 (5 pp.). https://doi.org/10.1103/PhysRevLett.108.257005
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  • Ryu S, Mudry C, Ludwig AWW, Furusaki A
    Global phase diagram of two-dimensional Dirac fermions in random potentials
    Physical Review B. 2012; 85(23): 235115 (25 pp.). https://doi.org/10.1103/PhysRevB.85.235115
    DORA PSI
  • Ryzhkov MV, Ivanovskii AL, Delley B
    Electronic structure of endohedral fullerenes An@C28 (An = Th - Md)
    Computational and Theoretical Chemistry. 2012; 985: 46-52. https://doi.org/10.1016/j.comptc.2012.01.037
    DORA PSI
  • Ryzhkov MV, Delley B
    Geometry, electronic structure, and magnetic ordering of iron-carbon nanoparticles
    Theoretical Chemistry Accounts. 2012; 131(3): 1144 (18 pp.). https://doi.org/10.1007/s00214-012-1144-8
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  • Ryzhkov MV, Delley B
    Spatial structure and stability of MonSim nanoparticles
    Journal of Structural Chemistry. 2012; 53(2): 209-214. https://doi.org/10.1134/S0022476612020011
    DORA PSI
  • Uldry A, Vernay F, Delley B
    Systematic computation of crystal-field multiplets for x-ray core spectroscopies
    Physical Review B. 2012; 85(12): 125133 (14 pp.). https://doi.org/10.1103/PhysRevB.85.125133
    DORA PSI
  • Weston L, Cui XY, Delley B, Stampfl C
    Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O superlattices from first principles
    Physical Review B. 2012; 86(20): 205322 (9 pp.). https://doi.org/10.1103/PhysRevB.86.205322
    DORA PSI
  • Zhang R-Q, Kim C-E, Delley B, Stampfl C, Soon A
    A first-principles study of ultrathin nanofilms of MgO-supported TiN
    Physical Chemistry Chemical Physics. 2012; 14(7): 2462-2467. https://doi.org/10.1039/c2cp23534j
    DORA PSI
  • Atanasov M, Delley B, Neese F, Tregenna-Piggott PL, Sigrist M
    Theoretical insights into the magnetostructural correlations in Mn3-based single-molecule magnets
    Inorganic Chemistry. 2011; 50(6): 2112-2124. https://doi.org/10.1021/ic1023482
    DORA PSI
  • Brandl C, Derlet PM, Van Swygenhoven H
    Dislocation mediated plasticity in nanocrystalline Al: the strongest size
    Modelling and Simulation in Materials Science and Engineering. 2011; 19(7): 74005 (11 pp.). https://doi.org/10.1088/0965-0393/19/7/074005
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  • Bruska MK, Czekaj I, Delley B, Mantzaras J, Wokaun A
    Electronic structure and oxygen vacancies in PdO and ZnO: Validation of DFT models
    Physical Chemistry Chemical Physics. 2011; 13(35): 15947-15954. https://doi.org/10.1039/c1cp20923j
    DORA PSI
  • Chiesa S, Derlet PM, Dudarev SL, Van Swygenhoven H
    Optimization of the magnetic potential for α-Fe
    Journal of Physics: Condensed Matter. 2011; 23(20): 206001 (14 pp.). https://doi.org/10.1088/0953-8984/23/20/206001
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  • Cui XY, Zheng RK, Liu ZW, Li L, Delley B, Stampfl C, et al.
    Magic numbers of nanoholes in graphene: Tunable magnetism and semiconductivity
    Physical Review B. 2011; 84(12): 125410 (7 pp.). https://doi.org/10.1103/PhysRevB.84.125410
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  • D'Ambrumenil N, Halperin BI, Morf RH
    Model for dissipative conductance in fractional quantum Hall states
    Physical Review Letters. 2011; 106(12): 126804 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.126804
    DORA PSI
  • Derlet PM, Gilbert MR, Dudarev SL
    Simulating dislocation loop internal dynamics and collective diffusion using stochastic differential equations
    Physical Review B. 2011; 84(13): 134109 (13 pp.). https://doi.org/10.1103/PhysRevB.84.134109
    DORA PSI
  • Derlet PM, Maaß R
    Thermal-activation model for freezing and the elastic robustness of bulk metallic glasses
    Physical Review B. 2011; 84(22): R220201 (4 pp.). https://doi.org/10.1103/PhysRevB.84.220201
    DORA PSI
  • Deupi X, Standfuss J
    Structural insights into agonist-induced activation of G-protein-coupled receptors
    Current Opinion in Structural Biology. 2011; 21(4): 541-551. https://doi.org/10.1016/j.sbi.2011.06.002
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  • González A, Perez-Acle T, Pardo L, Deupi X
    Molecular basis of ligand dissociation in β-adrenergic receptors
    PLoS One. 2011; 6(9): e23815 (9 pp.). https://doi.org/10.1371/journal.pone.0023815
    DORA PSI
  • Idhil A, Borca CN, Uldry A-C, Victoria M, Samaras M
    Investigating the structure of iron-chromium alloys using synchrotron based X-ray microanalysis
    Journal of Nuclear Materials. 2011; 416(1-2): 65-69. https://doi.org/10.1016/j.jnucmat.2010.11.097
    DORA PSI
  • Mudry C, Janssen S, Clausen K
    9th PSI summer school on condensed matter research, Zuoz, Switzerland
    Neutron News. 2011; 22(2): 3. https://doi.org/10.1080/10448632.2011.568865
    DORA PSI
  • Neupert T, Sigrist M
    Coexistence of ferromagnetism and superconductivity in noncentrosymmetric materials with cubic symmetry
    Journal of the Physical Society of Japan. 2011; 80(11): 114712 (5 pp.). https://doi.org/10.1143/JPSJ.80.114712
    DORA PSI
  • Neupert T, Santos L, Chamon C, Mudry C
    Fractional quantum Hall states at zero magnetic field
    Physical Review Letters. 2011; 106(23): 236804 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.236804
    DORA PSI
  • Neupert T, Santos L, Ryu S, Chamon C, Mudry C
    Fractional topological liquids with time-reversal symmetry and their lattice realization
    Physical Review B. 2011; 84(16): 165107 (13 pp.). https://doi.org/10.1103/PhysRevB.84.165107
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  • Pauli SA, Leake SJ, Delley B, Björck M, Schneider CW, Schlepütz CM, et al.
    Evolution of the interfacial structure of LaAlO3 on SrTiO3
    Physical Review Letters. 2011; 106(3): 036101 (4 pp.). https://doi.org/10.1103/PhysRevLett.106.036101
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  • Sansuk K, Deupi X, Torrecillas IR, Jongejan A, Nijmeijer S, Bakker RA, et al.
    A structural insight into the reorientation of transmembrane domains 3 and 5 during family A G protein-coupled receptor activation
    Molecular Pharmacology. 2011; 79(2): 262-269. https://doi.org/10.1124/mol.110.066068
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  • Santos L, Nishida Y, Chamon C, Mudry C
    Counting Majorana zero modes in superconductors
    Physical Review B. 2011; 83(10): 104522 (19pp.). https://doi.org/10.1103/PhysRevB.83.104522
    DORA PSI
  • Santos L, Neupert T, Ryu S, Chamon C, Mudry C
    Time-reversal symmetric hierarchy of fractional incompressible liquids
    Physical Review B. 2011; 84(16): 1-11. https://doi.org/10.1103/PhysRevB.84.165138
    DORA PSI
  • Sassa Y, Radović M, Månsson M, Razzoli E, Cui XY, Pailhès S, et al.
    Ortho-II band folding in YBa2Cu3O7-δ films revealed by angle-resolved photoemission
    Physical Review B. 2011; 83(14): 140511 (4 pp.). https://doi.org/10.1103/PhysRevB.83.140511
    DORA PSI
  • Scilletta C, Castrucci P, Del Gobbo S, Scarselli M, Camilli L, Simeoni M, et al.
    Light harvesting with multiwall carbon nanotube/silicon heterojunctions
    Nanotechnology. 2011; 22(11): 115701 (8 pp.). https://doi.org/10.1088/0957-4484/22/11/115701
    DORA PSI
  • Shieh CC, Cui XY, Delley B, Stampfl C
    Built-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigations
    Journal of Applied Physics. 2011; 109(8): 1-8. https://doi.org/10.1063/1.3573499
    DORA PSI
  • Storni M, Morf RH
    Localized quasiholes and the Majorana fermion in fractional quantum Hall state at ν = 5/2 via direct diagonalization
    Physical Review B. 2011; 83(19): 195306 (9 pp.). https://doi.org/10.1103/PhysRevB.83.195306
    DORA PSI
  • Suzuki H, Delley B, Satoko C
    DFT study on magnetic interaction in an orbitally degenerate Ti3+ dimer complex
    Journal of Physics: Condensed Matter. 2011; 23(37): 1-11. https://doi.org/10.1088/0953-8984/23/37/375502
    DORA PSI
  • Todorova T, Peitz D, Kröcher O, Wokaun A, Delley B
    Guanidinium formate decomposition on the (101) TiO2-anatase surface: combined minimum energy reaction pathway calculations and temperature-programmed decomposition experiments
    Journal of Physical Chemistry C. 2011; 115(4): 1195-1203. https://doi.org/10.1021/jp106523b
    DORA PSI
  • Viitala M, Cramariuc O, Delley B, Rantala TT
    Conformation and energetics of benzene adsorbate on SnO2(110) surfaces: A first principles study
    Surface Science. 2011; 605(15-16): 1563-1567. https://doi.org/10.1016/j.susc.2011.05.029
    DORA PSI
  • Warschkow O, Chuasiripattana K, Lyle MJ, Delley B, Stampfl C
    Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures
    Physical Review B. 2011; 84(12): 125311-125325. https://doi.org/10.1103/PhysRevB.84.125311
    DORA PSI
  • Atanasov M, Delley B, Reinen D
    A DFT study of the energetical and structural landscape of the tetrahedral to square-planar conversion of tetrahalide complexes of copper(II)
    Zeitschrift für Anorganische und Allgemeine Chemie. 2010; 636(9-10): 1740-1750. https://doi.org/10.1002/zaac.201000089
    DORA PSI
  • Brandl C, Tiwari S, Derlet PM, Van Swygenhoven H
    Athermal critical stresses for dislocation propagation in nanocrystalline aluminium
    Philosophical Magazine. 2010; 90(7-8): 977-989. https://doi.org/10.1080/14786430903124444
    DORA PSI
  • Chuasiripattana K, Warschkow O, Delley B, Stampfl C
    Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface
    Surface Science. 2010; 604(19-20): 1742-1751. https://doi.org/10.1016/j.susc.2010.06.025
    DORA PSI
  • Cui XY, Delley B, Stampfl C
    Band gap engineering of wurtzite and zinc-blende GaN/AlN superlattices from first principles
    Journal of Applied Physics. 2010; 108(10): 103701 (10 pp.). https://doi.org/10.1063/1.3505752
    DORA PSI
  • Cui XY, Carter DJ, Fuchs M, Delley B, Wei SH, Freeman AJ, et al.
    Continuously tunable band gap in GaN/AlN (0001) superlattices via built-in electric field
    Physical Review B. 2010; 81(15): 155301 (5 pp.). https://doi.org/10.1103/PhysRevB.81.155301
    DORA PSI
  • Cui XY, Delley B, Freeman AJ, Stampfl C
    Tunnel magnetoresistance in trilayer junctions from first principles: Cr δ -layer doped GaN/AlN/GaN (0 0 0 1)
    Journal of Magnetism and Magnetic Materials. 2010; 322(4): 395-399. https://doi.org/10.1016/j.jmmm.2009.09.060
    DORA PSI
  • Delley B
    Time dependent density functional theory with DMol3
    Journal of Physics: Condensed Matter. 2010; 22(38): 384208 (6 pp.). https://doi.org/10.1088/0953-8984/22/38/384208
    DORA PSI
  • Derlet PM, Maass R, Loeffler JF
    The bribrational properties of model bulk metallic glasses
    In: Vol. 1224. Materials research society symposium - proceedings. ; 2010:GG-05-1.
    DORA PSI
  • Deupi X, Kobilka BK
    Energy landscapes as a tool to integrate GPCR structure, dynamics, and function
    Physiology. 2010; 25(5): 293-303. https://doi.org/10.1152/physiol.00002.2010
    DORA PSI
  • Duan X, Warschkow O, Soon A, Delley B, Stampfl C
    Density functional study of oxygen on Cu(100) and Cu(110) surfaces
    Physical Review B. 2010; 81(7): 075430 (15 pp.). https://doi.org/10.1103/PhysRevB.81.075430
    DORA PSI
  • Dudarev SL, Gilbert MR, Arakawa K, Mori H, Yao Z, Jenkins ML, et al.
    Langevin model for real-time Brownian dynamics of interacting nanodefects in irradiated metals
    Physical Review B. 2010; 81(22): 224107 (15 pp.). https://doi.org/10.1103/PhysRevB.81.224107
    DORA PSI
  • Gaff JF, Franzen S, Delley B
    Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization
    Journal of Physical Chemistry A. 2010; 114(43): 11681-11690. https://doi.org/10.1021/jp103321x
    DORA PSI
  • Hou C-Y, Chamon C, Mudry C
    Deconfined fractional electric charges in graphene at high magnetic fields
    Physical Review B. 2010; 81(7): 075427 (11 pp.). https://doi.org/10.1103/PhysRevB.81.075427
    DORA PSI
  • Lyle MJ, Warschkow O, Delley B, Stampfl C
    Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface
    Physical Review B. 2010; 82(16): 165401 (9 pp.). https://doi.org/10.1103/PhysRevB.82.165401
    DORA PSI
  • Neupert T, Onoda S, Furusaki A
    Chain of Majorana states from superconducting Dirac fermions at a magnetic domain wall
    Physical Review Letters. 2010; 105(20): 206404 (4 pp.). https://doi.org/10.1103/PhysRevLett.105.206404
    DORA PSI
  • Nuebler J, Umansky V, Morf R, Heiblum M, von Klitzing K, Smet J
    Density dependence of the ν=5/2 energy gap: experiment and theory
    Physical Review B. 2010; 81(3): 035316 (7 pp.). https://doi.org/10.1103/PhysRevB.81.035316
    DORA PSI
  • Ryu S, Mudry C, Ludwig AWW, Furusaki A
    High-gradient operators in perturbed Wess-Zumino-Witten field theories in two dimensions
    Nuclear Physics B. 2010; 839(3): 341-376. https://doi.org/10.1016/j.nuclphysb.2010.04.012
    DORA PSI
  • Ryu S, Mudry C, Obuse H, Furusaki A
    The ℤ2 network model for the quantum spin Hall effect: two-dimensional Dirac fermions, topological quantum numbers and corner multifractality
    New Journal of Physics. 2010; 12(6): 065005 (30 pp.). https://doi.org/10.1088/1367-2630/12/6/065005
    DORA PSI
  • Santos L, Neupert T, Chamon C, Mudry C
    Superconductivity on the surface of topological insulators and in two-dimensional noncentrosymmetric materials
    Physical Review B. 2010; 81(18): 184502 (23 pp.). https://doi.org/10.1103/PhysRevB.81.184502
    DORA PSI
  • Santos L, Ryu S, Chamon C, Mudry C
    Topological qubits in graphenelike systems
    Physical Review B. 2010; 82(16): 165101 (5 pp.). https://doi.org/10.1103/PhysRevB.82.165101
    DORA PSI
  • Schaniel D, Mockus N, Woike T, Klein A, Sheptyakov D, Todorova T, et al.
    Reversible photoswitching between nitrito-N and nitrito-O isomers in trans-[Ru(py)4(NO2)2]
    Physical Chemistry Chemical Physics. 2010; 12(23): 6171-6178. https://doi.org/10.1039/b921723a
    DORA PSI
  • Storni M, Morf RH, Das Sarma S
    Fractional quantum Hall state at ν=5/2 and the Moore-Read Pfaffian
    Physical Review Letters. 2010; 104(7): 076803 (4 pp.). https://doi.org/10.1103/PhysRevLett.104.076803
    DORA PSI
  • Todorova T, Delley B
    Molecular crystals: a test system for weak bonding
    Journal of Physical Chemistry C. 2010; 114(48): 20523-20530. https://doi.org/10.1021/jp1049759
    DORA PSI
  • Andreasson BP, Janousch M, Staub U, Todorova T, Delley B, Meijer GI, et al.
    Detecting oxygen vacancies in SrTiO3 by 3d transition-metal tracer ions
    Physical Review B. 2009; 80(21): 212103 (4 pp.). https://doi.org/10.1103/PhysRevB.80.212103
    DORA PSI
  • Bitzek E, Brandl C, Weygand D, Derlet PM, Van Swygenhoven H
    Atomistic simulation of a dislocation shear loop interacting with grain boundaries in nanocrystalline aluminium
    Modelling and Simulation in Materials Science and Engineering. 2009; 17(5): 055008 (8 pp.). https://doi.org/10.1088/0965-0393/17/5/055008
    DORA PSI
  • Carter DJ, Puckeridge M, Delley B, Stampfl C
    Quantum confinement effects in gallium nitride nanostructures: ab initio investigations
    Nanotechnology. 2009; 20(42): 425401 (5 pp.). https://doi.org/10.1088/0957-4484/20/42/425401
    DORA PSI
  • Chiesa S, Derlet PM, Dudarev SL, Van Swygenhoven H
    Atomistic calculation of elastic constants of alpha-iron containing point defects by means of magnetic interatomic potentials
    Journal of Nuclear Materials. 2009; 386-388: 49-51. https://doi.org/10.1016/j.jnucmat.2008.12.056
    DORA PSI
  • Chiesa S, Derlet PM, Dudarev SL
    Free energy of a ⟨110⟩ dumbbell interstitial defect in bcc Fe: Harmonic and anharmonic contributions
    Physical Review B. 2009; 79(21): 214109. https://doi.org/10.1103/PhysRevB.79.214109
    DORA PSI
  • Chiesa S, Gilbert MR, Dudarev SL, Derlet PM, Van Swygenhoven H
    The non-degenerate core structure of a ½⟨111⟩ screw dislocation in bcc transition metals modelled using Finnis-Sinclair potentials: the necessary and sufficient conditions
    Philosophical Magazine. 2009; 89(34-36): 3235-3243. https://doi.org/10.1080/14786430903250835
    DORA PSI
  • Cormary B, Malfant I, Buron-Le Cointe M, Toupet L, Delley B, Schaniel D, et al.
    [Ru(py)4Cl(NO)](PF6)2·0.5H2O: a model system for structural determination and ab initio calculations of photo-induced linkage NO isomers
    Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2009; 65(5): 612-623. https://doi.org/10.1107/S0108768109027207
    DORA PSI
  • Cui XY, Delley B, Freeman AJ, Stampfl C
    First-principles investigation of Mn δ-layer doped GaN/AlN/GaN (0001) tunneling junctions
    Journal of Applied Physics. 2009; 106(4): 043711 (9 pp.). https://doi.org/10.1063/1.3194790
    DORA PSI
  • Derlet PM, Gumbsch P, Hoagland R, Li J, McDowell DL, Van Swygenhoven H, et al.
    Atomistic simulations of dislocations in confined volumes
    MRS Bulletin. 2009; 34(3): 184-189. https://doi.org/10.1557/mrs2009.50
    DORA PSI
  • Derlet PM, Van Petegem S, Van Swygenhoven H
    Vibrational properties of grain boundaries in nanocrystalline Ni using second moment potentials
    Philosophical Magazine. 2009; 89(34-36): 3511-3529. https://doi.org/10.1080/14786430903258200
    DORA PSI
  • Dudarev SL, Boutard JL, Lässer R, Caturla MJ, Derlet PM, Fivel M, et al.
    The EU programme for modelling radiation effects in fusion reactor materials: an overview of recent advances and future goals
    Journal of Nuclear Materials. 2009; 386-388: 1-7. https://doi.org/10.1016/j.jnucmat.2008.12.301
    DORA PSI

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