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Science. 2022; 375(6583): 845-851. https://doi.org/10.1126/science.abj6663
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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
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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
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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
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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
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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
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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. Vol. 2164. Journal of physics: conference series. Bristol: IOP Publishing; 2022:012002 (6 pp.). https://doi.org/10.1088/1742-6596/2164/1/012002
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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; 63(2): 71-86. 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
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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
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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
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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
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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
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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
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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
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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
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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
2021
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
CMT Group Publications prior to the LTC integration
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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
In: Kozubek T, Arbenz P, Jaroš J, Říha L, Šístek J, Tichý P, eds. High performance computing in science and engineering. 4th international conference, HPCSE 2019, Karolinka, Czech Republic, May 20-23, 2019, revised selected papers. Vol. 12456. Lecture notes in computer science. Cham: Springer Nature; 2021:80-98. https://doi.org/10.1007/978-3-030-67077-1_5
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 -
Aksoy ÖM, Chen J-H, Ryu S, Furusaki A, Mudry C
Stability against contact interactions of a topological superconductor in two-dimensional space protected by time-reversal and reflection symmetries
Physical Review B. 2021; 103(20): 205121 (15 pp.). https://doi.org/10.1103/PhysRevB.103.205121
DORA PSI -
Astrakhantsev N, Westerhout T, Tiwari A, Choo K, Chen A, Fischer MH, et al.
Broken-symmetry ground states of the Heisenberg model on the pyrochlore lattice
Physical Review X. 2021; 11(4): 041021 (20 pp.). https://doi.org/10.1103/PhysRevX.11.041021
DORA PSI -
Beliu G, Altrichter S, Guixà-González R, Hemberger M, Brauer I, Dahse A-K, et al.
Tethered agonist exposure in intact adhesion/class B2 GPCRs through intrinsic structural flexibility of the GAIN domain
Molecular Cell. 2021; 81(5): 905-921.e5. https://doi.org/10.1016/j.molcel.2020.12.042
DORA PSI -
Blickenstorfer Y, Müller M, Dreyfus R, Reichmuth AM, Fattinger C, Frutiger A
Quantitative diffractometric biosensing
Physical Review Applied. 2021; 15(3): 034023 (24 pp.). https://doi.org/10.1103/PhysRevApplied.15.034023
DORA PSI -
Derlet PM, Maaß R
Micro-plasticity in a fragile model binary glass
Acta Materialia. 2021; 209: 116771 (12 pp.). https://doi.org/10.1016/j.actamat.2021.116771
DORA PSI -
Grimm M, Beckert A, Aeppli G, Müller M
Universal quantum computing using electronuclear wavefunctions of rare-earth ions
PRX Quantum. 2021; 2(1): 010312 (19 pp.). https://doi.org/10.1103/PRXQuantum.2.010312
DORA PSI -
Iraola M, Heinsdorf N, Tiwari A, Lessnich D, Mertz T, Ferrari F, et al.
Towards a topological quantum chemistry description of correlated systems: the case of the Hubbard diamond chain
Physical Review B. 2021; 104(19): 195125 (17 pp.). https://doi.org/10.1103/PhysRevB.104.195125
DORA PSI -
Isaikina P, Tsai C-J, Dietz N, Pamula F, Grahl A, Goldie KN, et al.
Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist
Science Advances. 2021; 7(25): eabg8685 (11 pp.). https://doi.org/10.1126/sciadv.abg8685
DORA PSI -
Karpov P, Verdel R, Huang Y-P, Schmitt M, Heyl M
Disorder-free localization in an interacting 2D lattice gauge theory
Physical Review Letters. 2021; 126(13): 130401 (6 pp.). https://doi.org/10.1103/PhysRevLett.126.130401
DORA PSI -
Koklič T, Hrovat A, Guixà-González R, Rodríguez-Espigares I, Navio D, Frangež R, et al.
Electron paramagnetic resonance gives evidence for the presence of type 1 gonadotropin-releasing hormone receptor (GnRH-R) in subdomains of lipid rafts
Molecules. 2021; 26(4): 973 (17 pp.). https://doi.org/10.3390/molecules26040973
DORA PSI -
Lenggenhager PM, Liu X, Tsirkin SS, Neupert T, Bzdušek T
From triple-point materials to multiband nodal links
Physical Review B. 2021; 103(12): L121101 (6 pp.). https://doi.org/10.1103/PhysRevB.103.L121101
DORA PSI -
Nelson A, Neupert T, Bzdušek T, Alexandradinata A
Multicellularity of delicate topological insulators
Physical Review Letters. 2021; 126(21): 216404 (7 pp.). https://doi.org/10.1103/PhysRevLett.126.216404
DORA PSI -
Patt J, Alenfelder J, Pfeil EM, Voss JH, Merten N, Eryilmaz F, et al.
An experimental strategy to probe Gq contribution to signal transduction in living cells
Journal of Biological Chemistry. 2021; 296: 100472 (17 pp.). https://doi.org/10.1016/j.jbc.2021.100472
DORA PSI -
Rizzardi Q, Derlet PM, Maaß R
Microstructural signatures of dislocation avalanches in a high-entropy alloy
Physical Review Materials. 2021; 5(4): 043604 (10 pp.). https://doi.org/10.1103/PhysRevMaterials.5.043604
DORA PSI -
Ukleev V, Karube K, Derlet PM, Wang CN, Luetkens H, Morikawa D, et al.
Frustration-driven magnetic fluctuations as the origin of the low-temperature skyrmion phase in Co7Zn7Mn6
npj Quantum Materials. 2021; 6(1): 40 (8 pp.). https://doi.org/10.1038/s41535-021-00342-5
DORA PSI -
Verdel R, Schmitt M, Huang Y-P, Karpov P, Heyl M
Variational classical networks for dynamics in interacting quantum matter
Physical Review B. 2021; 103(16): 165103 (17 pp.). https://doi.org/10.1103/PhysRevB.103.165103
DORA PSI -
Xu Y, Das L, Ma JZ, Yi CJ, Nie SM, Shi YG, et al.
Unconventional transverse transport above and below the magnetic transition temperature in Weyl semimetal EuCd2As2
Physical Review Letters. 2021; 126(7): 076602 (7 pp.). https://doi.org/10.1103/PhysRevLett.126.076602
DORA PSI -
Bouhon A, Bzdušek T, Slager R-J
Geometric approach to fragile topology beyond symmetry indicators
Physical Review B. 2020; 102(11): 115135 (29 pp.). https://doi.org/10.1103/PhysRevB.102.115135
DORA PSI -
Bouhon A, Wu QS, Slager R-J, Weng H, Yazyev OV, Bzdušek T
Non-Abelian reciprocal braiding of Weyl points and its manifestation in ZrTe
Nature Physics. 2020; 16: 1137-1143. https://doi.org/10.1038/s41567-020-0967-9
DORA PSI -
Derlet PM
Correlated disorder in a model binary glass through a local SU(2) bonding topology
Physical Review Materials. 2020; 4(12): 125601 (18 pp.). https://doi.org/10.1103/PhysRevMaterials.4.125601
DORA PSI -
Derlet PM, Maaß R
Emergent structural length scales in a model binary glass - the micro-second molecular dynamics time-scale regime
Journal of Alloys and Compounds. 2020; 821: 153209 (11 pp.). https://doi.org/10.1016/j.jallcom.2019.153209
DORA PSI -
Derlet PM, Dudarev SL
Microscopic structure of a heavily irradiated material
Physical Review Materials. 2020; 4(2): 023605 (20 pp.). https://doi.org/10.1103/PhysRevMaterials.4.023605
DORA PSI -
Dobitz S, Wilhelm P, Romantini N, De Foresta M, Walther C, Ritler A, et al.
Distance-dependent cellular uptake of oligoproline-based homobivalent ligands targeting GPCRs - an experimental and computational analysis
Bioconjugate Chemistry. 2020; 31(10): 2431-2438. https://doi.org/10.1021/acs.bioconjchem.0c00484
DORA PSI -
García-Recio A, Navarro G, Franco R, Olivella M, Guixà-González R, Cordomí A
DIMERBOW: exploring possible GPCR dimer interfaces
Bioinformatics. 2020; 36(10): 3271-3272. https://doi.org/10.1093/bioinformatics/btaa117
DORA PSI -
Grob NM, Häussinger D, Deupi X, Schibli R, Behe M, Mindt TL
Triazolo-peptidomimetics: novel radiolabeled minigastrin analogs for improved tumor targeting
Journal of Medicinal Chemistry. 2020; 63(9): 4484-4495. https://doi.org/10.1021/acs.jmedchem.9b01936
DORA PSI -
Guguchia Z, Das D, Wang CN, Adachi T, Kitajima N, Elender M, et al.
Using uniaxial stress to probe the relationship between competing superconducting states in a cuprate with spin-stripe order
Physical Review Letters. 2020; 125(9): 097005 (7 pp.). https://doi.org/10.1103/PhysRevLett.125.097005
DORA PSI -
Hofhuis K, Hrabec A, Arava H, Leo N, Huang Y-L, Chopdekar RV, et al.
Thermally superactive artificial kagome spin ice structures obtained with the interfacial Dzyaloshinskii-Moriya interaction
Physical Review B. 2020; 102(18): 180405(R) (6 pp.). https://doi.org/10.1103/PhysRevB.102.180405
DORA PSI -
Huang S-M, Huang Y-P, Lee T-K
Slave-rotor theory on magic-angle twisted bilayer graphene
Physical Review B. 2020; 101(23): 235140 (12 pp.). https://doi.org/10.1103/PhysRevB.101.235140
DORA PSI -
Lapierre B, Choo K, Tauber C, Tiwari A, Neupert T, Chitra R
Emergent black hole dynamics in critical Floquet systems
Physical Review Research. 2020; 2(2): 023085 (11 pp.). https://doi.org/10.1103/PhysRevResearch.2.023085
DORA PSI -
Lapierre B, Choo K, Tiwari A, Tauber C, Neupert T, Chitra R
Fine structure of heating in a quasiperiodically driven critical quantum system
Physical Review Research. 2020; 2(3): 033461 (13 pp.). https://doi.org/10.1103/PhysRevResearch.2.033461
DORA PSI -
Lehmann J, Bortis A, Derlet PM, Donnelly C, Leo N, Heyderman LJ, et al.
Relation between microscopic interactions and macroscopic properties in ferroics
Nature Nanotechnology. 2020; 15: 896-900. https://doi.org/10.1038/s41565-020-0763-9
DORA PSI -
Maceira IA, Mila F, Müller M
Perturbative approach to tunneling and quantum interferences in spin clusters
Physical Review B. 2020; 101(10): 104416 (17 pp.). https://doi.org/10.1103/PhysRevB.101.104416
DORA PSI -
Mason DR, Das S, Derlet PM, Dudarev SL, London AJ, Yu H, et al.
Observation of transient and asymptotic driven structural states of tungsten exposed to radiation
Physical Review Letters. 2020; 125(22): 225503 (7 pp.). https://doi.org/10.1103/PhysRevLett.125.225503
DORA PSI -
Mayol E, García-Recio A, Tiemann JKS, Hildebrand PW, Guixà-González R, Olivella M, et al.
HomolWat: a web server tool to incorporate 'homologous' water molecules into GPCR structures
Nucleic Acids Research. 2020; 48(W1): W54-W59. https://doi.org/10.1093/nar/gkaa440
DORA PSI -
Müller M, Derlet PM, Mudry C, Aeppli G
Testing of asymptomatic individuals for fast feedback-control of COVID-19 pandemic
Physical Biology. 2020; 17(6): 065007 (20 pp.). https://doi.org/10.1088/1478-3975/aba6d0
DORA PSI -
Padhi B, Tiwari A, Neupert T, Ryu S
Transport across twist angle domains in moiré graphene
Physical Review Research. 2020; 2(3): 033458 (16 pp.). https://doi.org/10.1103/PhysRevResearch.2.033458
DORA PSI -
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, et al.
GPCRmd uncovers the dynamics of the 3D-GPCRome
Nature Methods. 2020; 17: 777-787. https://doi.org/10.1038/s41592-020-0884-y
DORA PSI -
Savchenko TM, Buzzi M, Howald L, Ruta S, Vijayakumar J, Timm M, et al.
Single femtosecond laser pulse excitation of individual cobalt nanoparticles
Physical Review B. 2020; 102(20): 205418 (12 pp.). https://doi.org/10.1103/PhysRevB.102.205418
DORA PSI -
Shimanek J, Rizzardi Q, Sparks G, Derlet PM, Maaß R
Scale-dependent pop-ins in nanoindentation and scale-free plastic fluctuations in microcompression
Journal of Materials Research. 2020; 35(2): 196-205. https://doi.org/10.1557/jmr.2019.386
DORA PSI -
Skopintsev P, Ehrenberg D, Weinert T, James D, Kar RK, Johnson PJM, et al.
Femtosecond-to-millisecond structural changes in a light-driven sodium pump
Nature. 2020; 583: 314-318. https://doi.org/10.1038/s41586-020-2307-8
DORA PSI -
Sun X-Q, Wojcik CC, Fan S, Bzdušek T
Alice strings in non-Hermitian systems
Physical Review Research. 2020; 2(2): 023226 (12 pp.). https://doi.org/10.1103/PhysRevResearch.2.023226
DORA PSI -
Tiwari A, Jahin A, Wang Y
Chiral Dirac superconductors: second-order and boundary-obstructed topology
Physical Review Research. 2020; 2(4): 043300 (12 pp.). https://doi.org/10.1103/PhysRevResearch.2.043300
DORA PSI -
Tiwari A, Bzdušek T
Non-Abelian topology of nodal-line rings in PT-symmetric systems
Physical Review B. 2020; 101(19): 195130 (29 pp.). https://doi.org/10.1103/PhysRevB.101.195130
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Tiwari A, Li M-H, Bernevig BA, Neupert T, Parameswaran SA
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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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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
DORA PSI -
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 -
Derlet PM, Maass R, Löffler JF
The vibrational modes of model bulk metallic glasses
In: Mechanical behavior at small scales--experiments and modeling. Vol. 1224. Materials research society symposium proceedings. Warrendale: Materials Research Society; 2010:155-161.
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
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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 -
Belonoshko AB, Derlet PM, Mikhaylushkin AS, Simak SI, Hellman O, Burakovsky L, et al.
Quenching of bcc-Fe from high to room temperature at high-pressure conditions: a molecular dynamics simulation
New Journal of Physics. 2009; 11(9): 093039 (8 pp.). https://doi.org/10.1088/1367-2630/11/9/093039
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 -
Brandl C, Derlet PM, Van Swygenhoven H
Strain rates in molecular dynamics simulations of nanocrystalline metals
Philosophical Magazine. 2009; 89(34-36): 3465-3475. https://doi.org/10.1080/14786430903313690
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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