LSM Publication List (since 2018)

  • 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; 2021:80-98. https://doi.org/10.1007/978-3-030-67077-1_5
    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, 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
  • 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
  • Bolaños-Chaverri F, Mantzaras J, Griffin T, Bombach R, Winkler D
    An experimental and numerical investigation of the catalytic-rich/gaseous-lean combustion of H2/CO/air mixtures at 8 bar
    Proceedings of the Combustion Institute. 2021; 38(4): 5443-5451. https://doi.org/10.1016/j.proci.2020.06.149
    DORA PSI
  • Bureš L, Sato Y
    Direct numerical simulation of evaporation and condensation with the geometric VOF method and a sharp-interface phase-change model
    International Journal of Heat and Mass Transfer. 2021; 173: 121233 (21 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121233
    DORA PSI
  • Bureš L, Sato Y
    On the modelling of the transition between contact-line and microlayer evaporation regimes in nucleate boiling
    Journal of Fluid Mechanics. 2021; 916(53): A53 (23 pp.). https://doi.org/10.1017/jfm.2021.204
    DORA PSI
  • Bureš L, Sato Y, Pautz A
    Piecewise linear interface-capturing volume-of-fluid method in axisymmetric cylindrical coordinates
    Journal of Computational Physics. 2021; 436: 110291 (36 pp.). https://doi.org/10.1016/j.jcp.2021.110291
    DORA PSI
  • Cramer K, Prasianakis NI, Niceno B, Ihli J, Holler M, Leyer S
    Three-dimensional membrane imaging with X-ray ptychography: determination of membrane transport properties for membrane distillation
    Transport in Porous Media. 2021; 138: 265-284. https://doi.org/10.1007/s11242-021-01603-4
    DORA PSI
  • Dehbi A
    Correcting for tube curvature effects on condensation in the presence of a noncondensable gas in turbulent free convection
    International Journal of Heat and Mass Transfer. 2021; 164: 120594 (11 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2020.120594
    DORA PSI
  • Dehbi A
    Development of a general correlation for free convection vapor condensation over a horizontal tube in the presence of a noncondensable gas
    International Journal of Heat and Mass Transfer. 2021; 123: 105210 (13 pp.). https://doi.org/10.1016/j.icheatmasstransfer.2021.105210
    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
  • 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
  • Di Nora VA, Fridman E, Nikitin E, Bilodid Y, Mikityuk K
    Optimization of multi-group energy structures for diffusion analyses of sodium-cooled fast reactors assisted by simulated annealing - part I: methodology demonstration
    Annals of Nuclear Energy. 2021; 155: 108183 (9 pp.). https://doi.org/10.1016/j.anucene.2021.108183
    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
  • Hadžiabdić M, Borrelli M, Ničeno B
    Simulation of Rayleigh-Benárd convection at up to Ra = 1016 by generalized elliptic-relaxation hybrid RANS-LES model
    International Journal of Heat and Fluid Flow. 2021; 90: 108819 (13 pp.). https://doi.org/10.1016/j.ijheatfluidflow.2021.108819
    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
  • Khatoonabadi M, Prasianakis NI, Mantzaras J
    Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity
    Physical Review E. 2021; 103(6): 063303 (13 pp.). https://doi.org/10.1103/PhysRevE.103.063303
    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
  • Kranjčević M, Riemann B, Adelmann A, Streun A
    Multiobjective optimization of the dynamic aperture using surrogate models based on artificial neural networks
    Physical Review Accelerators and Beams. 2021; 24(1): 014601 (15 pp.). https://doi.org/10.1103/PhysRevAccelBeams.24.014601
    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
  • Li S, Zacharias M, Snuverink J, Coello de Portugal J, Perez-Cruz F, Reggiani D, et al.
    A novel approach for classification and forecasting of time series in particle accelerators
    Information. 2021; 12(3): 121 (21 pp.). https://doi.org/10.3390/info12030121
    DORA PSI
  • Mantzaras J, Sui R, Law CK, Bombach R
    Heterogeneous and homogeneous combustion of fuel-lean C3H8/O2/N2 mixtures over rhodium at pressures up to 6 bar
    Proceedings of the Combustion Institute. 2021; 38(4): 6473-6482. https://doi.org/10.1016/j.proci.2020.06.029
    DORA PSI
  • Maxim F, Karalis K, Boillat P, Banuti DT, Marquez Damian JI, Niceno B, et al.
    Thermodynamics and dynamics of supercritical water pseudo-boiling
    Advanced Science. 2021; 8(3): 2002312 (10 pp.). https://doi.org/10.1002/advs.202002312
    DORA PSI
  • Muralikrishnan S, Cerfon AJ, Frey M, Ricketson LF, Adelmann A
    Sparse grid-based adaptive noise reduction strategy for particle-in-cell schemes
    Journal of Computational Physics: X. 2021; 11: 100094 (31 pp.). https://doi.org/10.1016/j.jcpx.2021.100094
    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
  • Nichenko S, Kalilainen J, Fernandez Moguel L, Lind T
    Modelling of fission products release in VERDON-1 experiment with cGEMS: coupling of severe accident code MELCOR with GEMS thermodynamic modelling package
    Annals of Nuclear Energy. 2021; 152: 107972 (11 pp.). https://doi.org/10.1016/j.anucene.2020.107972
    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
  • Petrović Đ, Mikityuk K
    Machine learning-based methodology for assessment of Doppler reactivity of sodium-cooled fast reactor
    Journal of Nuclear Engineering and Radiation Science. 2021; 7(4): 042004 (6 pp.). https://doi.org/10.1115/1.4050216
    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
  • 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
  • Sui R, Mantzaras J, Law CK, Bombach R, Khatoonabadi M
    Homogeneous ignition of H2/CO/O2/N2 mixtures over palladium at pressures up to 8 bar
    Proceedings of the Combustion Institute. 2021; 38(4): 6583-6591. https://doi.org/10.1016/j.proci.2020.06.262
    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
  • 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
  • Albà A, Adelmann A, Fallahi A
    OPAL-MITHRA: self-consistent software for start-to-end simulation of undulator-based facilities
    In: 33rd international vacuum nanoelectronics conference (IVNC) July 6-7, 2020. 2020 33rd international vacuum nanoelectronics conference (IVNC). Piscataway, New Jersey, United States: Institute of Electrical and Electronics Engineers; 2020:9203404 (2 pp.). https://doi.org/10.1109/IVNC49440.2020.9203404
    DORA PSI
  • Andreani M, Kapulla R, Kelm S, Paladino D, Paranjape S
    Analyses of gas stratification erosion by a vertical jet in presence of an obstacle using the GOTHIC code
    Journal of Nuclear Engineering and Radiation Science. 2020; 6(2): 021110 (18 pp.). https://doi.org/10.1115/1.4046296
    DORA PSI
  • Andreani M, Paranjape S
    Gas mixing caused by interacting heat sources. Part ii: modelling
    Nuclear Engineering and Design. 2020; 370: 110887 (16 pp.). https://doi.org/10.1016/j.nucengdes.2020.110887
    DORA PSI
  • Bocharov D, Krack M, Rafalskij Y, Kuzmin A, Purans J
    Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size
    Computational Materials Science. 2020; 171: 109198 (7 pp.). https://doi.org/10.1016/j.commatsci.2019.109198
    DORA PSI
  • Bocharov D, Anspoks A, Timoshenko J, Kalinko A, Krack M, Kuzmin A
    Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
    Radiation Physics and Chemistry. 2020; 175: 108100 (4 pp.). https://doi.org/10.1016/j.radphyschem.2018.12.020
    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
  • Bureš L, Sato Y
    Direct numerical simulation of phase change in the presence of non-condensable gases
    International Journal of Heat and Mass Transfer. 2020; 151: 119400 (18 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2020.119400
    DORA PSI
  • Bureš L, Sato Y
    Sharp-interface phase-change model with the VOF method
    In: 5th thermal and fluids engineering conference (TFEC). Vol. 2020-April. Proceedings of the thermal and fluids engineering summer conference. New York, NY, USA: Begell House Inc.; 2020:63-66. https://doi.org/10.1615/TFEC2020.cmd.031939
    DORA PSI
  • Calvo P, Oliver C, Adelmann A, Frey M, Gsell A, Snuverink J
    Beam stripping interactions implemented in cyclotrons with opal simulation code
    In: Conradie L, Garrett De Villiers J, Schaa VRW, eds. CYC2019. 22nd international conference on cyclotrons and their applications. Vol. 22. International conference on cyclotrons and their applications. Geneva: JACoW Publishing; 2020:109-112. https://doi.org/10.18429/JACoW-Cyclotrons2019-MOP034
    DORA PSI
  • Dehbi A
    Correcting for tube curvature effects on condensation in the presence of a noncondensable gas in laminar regimes
    International Journal of Heat and Mass Transfer. 2020; 151: 119384 (9 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2020.119384
    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
  • Edelen A, Neveu N, Frey M, Huber Y, Mayes C, Adelmann A
    Machine learning for orders of magnitude speedup in multiobjective optimization of particle accelerator systems
    Physical Review Accelerators and Beams. 2020; 23(4): 044601 (23 pp.). https://doi.org/10.1103/PhysRevAccelBeams.23.044601
    DORA PSI
  • Frey M, Adelmann A
    Global sensitivity analysis on numerical solver parameters of particle-in-cell models in particle accelerator systems
    Computer Physics Communications. 2020; 258: 107577 (17 pp.). https://doi.org/10.1016/j.cpc.2020.107577
    DORA PSI
  • Frey M, Adelmann A, Locans U
    On architecture and performance of adaptive mesh refinement in an electrostatics Particle-In-Cell code
    Computer Physics Communications. 2020; 247: 106912 (18 pp.). https://doi.org/10.1016/j.cpc.2019.106912
    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
  • Guo W, Shams A, Sato Y, Niceno B
    Influence of buoyancy in a mixed convection liquid metal flow for a horizontal channel configuration
    International Journal of Heat and Fluid Flow. 2020; 85: 108630 (13 pp.). https://doi.org/10.1016/j.ijheatfluidflow.2020.108630
    DORA PSI
  • Halouane Y, Dehbi A
    CFD prediction of hydrogen passive autocatalytic recombiner performance under counter-current flow conditions
    International Journal of Hydrogen Energy. 2020; 45(16): 10247-10256. https://doi.org/10.1016/j.ijhydene.2020.01.189
    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
  • Hombourger B, Křepel J, Pautz A
    The EQL0D fuel cycle procedure and its application to the transition to equilibrium of selected molten salt reactor designs
    Annals of Nuclear Energy. 2020; 144: 107504 (18 pp.). https://doi.org/10.1016/j.anucene.2020.107504
    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
  • Hursin M, Pelloni S, Vasiliev A, Ferroukhi H
    Treatment of the implicit effect in Shark-X
    Annals of Nuclear Energy. 2020; 138: 107178 (14 pp.). https://doi.org/10.1016/j.anucene.2019.107178
    DORA PSI
  • Kalilainen J, Nichenko S, Krepel J
    Evaporation of materials from the molten salt reactor fuel under elevated temperatures
    Journal of Nuclear Materials. 2020; 533: 152134 (13 pp.). https://doi.org/10.1016/j.jnucmat.2020.152134
    DORA PSI
  • Kéri A, Dähn R, Marques Fernandes M, Scheinost AC, Krack M, Churakov SV
    Iron adsorption on clays inferred from atomistic simulations and X-ray absorption spectroscopy
    Environmental Science and Technology. 2020; 54(19): 11886-11893. https://doi.org/10.1021/acs.est.9b07962
    DORA PSI
  • Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, et al.
    CP2K: an electronic structure and molecular dynamics software package - quickstep: efficient and accurate electronic structure calculations
    Journal of Chemical Physics. 2020; 152(19): 194103 (47 pp.). https://doi.org/10.1063/5.0007045
    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
  • Li X, Prasser H-M, Niceno B
    URANS simulations of the single-phase mixing in a 4*4 LWR fuel bundle with mixing vanes, validated against a sub-channel experiment
    Nuclear Engineering and Design. 2020; 363: 110612 (13 pp.). https://doi.org/10.1016/j.nucengdes.2020.110612
    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
  • Mikityuk K, Ammirabile L, Forni M, Jagielski J, Girault N, Horvath A, et al.
    Review of Euratom projects on design, safety assessment, R&D and licensing for ESNII/Gen-IV fast neutron systems
    EPJ Nuclear Sciences and Technologies. 2020; 6: 36 (17 pp.). https://doi.org/10.1051/epjn/2019007
    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
  • Nick N, Sato Y
    Computational fluid dynamics simulation of Hyperloop pod predicting laminar–turbulent transition
    Railway Engineering Science. 2020; 28(1): 97-111. https://doi.org/10.1007/s40534-020-00204-z
    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
  • Pelloni S, Rochman D
    Resonance parameter adjustment in the resolved region based upon an Asymptotic Generalized Linear Least-Squares methodology in conjunction with the Monte Carlo method
    Annals of Nuclear Energy. 2020; 145: 107509 (9 pp.). https://doi.org/10.1016/j.anucene.2020.107509
    DORA PSI
  • Plompen AJM, Cabellos O, De Saint Jean C, Fleming M, Algora A, Angelone M, et al.
    The joint evaluated fission and fusion nuclear data library, JEFF-3.3
    European Physical Journal A: Hadrons and Nuclei. 2020; 56(7): 181 (108 pp.). https://doi.org/10.1140/epja/s10050-020-00141-9
    DORA PSI
  • Raffuzzi V, Krepel J
    Simulation of breed and burn fuel cycle operation of Molten Salt Reactor in batch-wise refueling mode
    In: Proceedings of the PHYSOR 2020. Cambridge: Nuclear Energy Group; 2020:1185 (8 pp.).
    DORA PSI
  • Rizzoglio V, Adelmann A, Gerbershagen A, Meer D, Nesteruk KP, Schippers JM
    Uncertainty quantification analysis and optimization for proton therapy beam lines
    Physica Medica. 2020; 75: 11-18. https://doi.org/10.1016/j.ejmp.2020.05.013
    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
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  • Tsujino S, Sato Y, Takeda Y, Tomizaki T
    Oscillation resonances and anisotropic damping of the motion of acoustically levitated droplets in single-axis acoustic levitators
    Applied Physics Letters. 2019; 115: 053702 (5 pp.). https://doi.org/10.1063/1.5112109
    DORA PSI
  • Varma N, Mutt E, Mühle J, Panneels V, Terakita A, Deupi X, et al.
    Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2019; 116(29): 14574-14556. https://doi.org/10.1073/pnas.1902192116
    DORA PSI
  • Werner P, Eckstein M, Müller M, Refael G
    Light-induced evaporative cooling of holes in the Hubbard model
    Nature Communications. 2019; 10: 5556 (7 pp.). https://doi.org/10.1038/s41467-019-13557-9
    DORA PSI
  • Xu H, Locans U, Adelmann A, Stingelin L
    Calculation of longitudinal collective instabilities with mbtrack-cuda
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2019; 922: 345-351. https://doi.org/10.1016/j.nima.2019.01.041
    DORA PSI
  • Yang Z-C, Iadecola T, Chamon C, Mudry C
    Hierarchical Majoranas in a programmable nanowire network
    Physical Review B. 2019; 99(15): 155138 (15 pp.). https://doi.org/10.1103/PhysRevB.99.155138
    DORA PSI
  • Zhan X, Teplitzky P, Diskin-Posner Y, Sundararajan M, Ullah Z, Chen QC, et al.
    Maximizing property tuning of phosphorus corrole photocatalysts through a trifluoromethylation approach
    Inorganic Chemistry. 2019; 58(9): 6184-6198. https://doi.org/10.1021/acs.inorgchem.9b00436
    DORA PSI
  • Zhu M, Dehbi A, Sato Y, Niceno B
    Simulations of particle transport inside bubbles using coupled interface and Lagrangian tracking approaches
    In: 18th international topical meeting on nuclear reactor thermal hydraulics (NURETH-18). LaGrange Park, USA: American Nuclear Society (ANS); 2019:3677-3688.
    DORA PSI
  • Adelmann A, Rogers C, Sheehy SL
    Fixed Field Accelerators and space charge modeling
    In: Schaa VRW, ed. Proceedings of the 61st ICFA advanced beam dynamics workshop on high-intensity and high-brightness hadron beams. Vol. 61. ICFA advanced beam dynamics workshop. Geneva, Switzerland: JACoW Publishing; 2018:158-162. https://doi.org/10.18429/JACoW-HB2018-TUP1WA02
    DORA PSI
  • Adelmann A, Hermann B, Ischebeck R, Kaluza MC, Locans U, Sauerwein N, et al.
    Real-time tomography of gas-jets with a Wollaston Interferometer
    Applied Sciences. 2018; 8(3): 443 (21 pp.). https://doi.org/10.3390/app8030443
    DORA PSI
  • Aksouh M, Dehbi A
    Large Eddy simulations of particulate flows inside a square differentially heated cavity at Rayleigh numbers up to 1011
    Powder Technology. 2018; 336: 318-331. https://doi.org/10.1016/j.powtec.2018.06.016
    DORA PSI
  • Andreani M, Kapulla R
    Analyses of gas stratification erosion by a vertical jet in presence of an obstacle using the GOTHIC code
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Thermal hydraulics and safety analyses. Vol. 6B. New York: American Society of Mechanical Engineers (ASME); 2018:ICONE26-82360 (11 pp.). https://doi.org/10.1115/ICONE26-82360
    DORA PSI
  • Andreani M, Paladino D, Papini D
    Multi-step planning calculations with the GOTHIC code used for the design of complex experiments in the PANDA facility
    Nuclear Engineering and Design. 2018; 339: 116-125. https://doi.org/10.1016/j.nucengdes.2018.09.005
    DORA PSI
  • Arani BO, Frouzakis CE, Mantzaras J, Lucci F, Boulouchos K
    Direct numerical simulation of turbulent channel-flow catalytic combustion: effects of Reynolds number and catalytic reactivity
    Combustion and Flame. 2018; 187: 52-66. https://doi.org/10.1016/j.combustflame.2017.09.001
    DORA PSI
  • Arani BO, Mantzaras J, Frouzakis CE, Boulouchos K
    Hetero-/homogeneous chemistry interactions and flame formation during methane catalytic partial oxidation in rhodium-coated channels
    Combustion and Flame. 2018; 198: 320-333. https://doi.org/10.1016/j.combustflame.2018.09.029
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  • Arava H, Derlet PM, Vijayakumar J, Cui J, Bingham NS, Kleibert A, et al.
    Computational logic with square rings of nanomagnets
    Nanotechnology. 2018; 29(26): 265205 (7 pp.). https://doi.org/10.1088/1361-6528/aabbc3
    DORA PSI
  • Badreddine H, Lafferty N, Ničeno B, Prasser H-M
    Corrective interface tracking approach to simulate finite-size bubbly flows
    Chemical Engineering Science. 2018; 178: 61-69. https://doi.org/10.1016/j.ces.2017.12.028
    DORA PSI
  • Badreddine H, Ničeno B
    Simulations of droplet merging with free surface and bubble column reactor with finite-size Lagrangian particle tracking
    Chemical Engineering Science. 2018; 176: 609-621. https://doi.org/10.1016/j.ces.2017.10.037
    DORA PSI
  • Balinski K, Schneider L, Wöllermann J, Buling A, Joly L, Piamonteze C, et al.
    Element specific determination of the magnetic properties of two macrocyclic tetranuclear 3d-4f complexes with a Cu3Tb core by means of X-ray magnetic circular dichroism (XMCD)
    Physical Chemistry Chemical Physics. 2018; 20(33): 21286-21293. https://doi.org/10.1039/c7cp08689j
    DORA PSI
  • Baltic R, Donati F, Singha A, Wäckerlin C, Dreiser J, Delley B, et al.
    Magnetic properties of single rare-earth atoms on graphene/Ir(111)
    Physical Review B. 2018; 98(2): 024412 (12 pp.). https://doi.org/10.1103/PhysRevB.98.024412
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  • Becquart CS, Ngayam Happy R, Olsson P, Domain C
    A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe
    Journal of Nuclear Materials. 2018; 500: 92-109. https://doi.org/10.1016/j.jnucmat.2017.12.022
    DORA PSI
  • Bodi J, Mikityuk K, Ponomarev A, Guidez J
    Use of CAD models in ESFR-SMART EU project
    In: 2018 GIF symposium proceedings. sine loco: Generation IV International Forum; 2018:363-368. https://doi.org/10.5281/zenodo.1479030
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  • Bousbia Salah A, Ceuca SC, Puragliesi R, Mukin R, Grahn A, Kliem S, et al.
    Unsteady single-phase natural-circulation flow mixing prediction using 3-D thermal-hydraulic system and CFD Codes
    Nuclear Technology. 2018; 203(3): 293-314. https://doi.org/10.1080/00295450.2018.1461517
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  • Clifford I, Pecchia M, Puragliesi R, Vasiliev A, Ferroukhi H
    On the characteristics of the flow and heat transfer in the core bypass region of a PWR
    Nuclear Engineering and Design. 2018; 330: 117-128. https://doi.org/10.1016/j.nucengdes.2018.01.039
    DORA PSI
  • Derlet PM, Maaß R
    Local volume as a robust structural measure and its connection to icosahedral content in a model binary amorphous system
    Materialia. 2018; 3: 97-106. https://doi.org/10.1016/j.mtla.2018.08.006
    DORA PSI
  • Derlet PM, Maaß R
    Thermally-activated stress relaxation in a model amorphous solid and the formation of a system-spanning shear event
    Acta Materialia. 2018; 143: 205-213. https://doi.org/10.1016/j.actamat.2017.10.020
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  • Di Filippo M, Krepel J, Mikityuk K, Prasser H-M
    Analysis of major group structures used for nuclear reactor simulations
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Student paper competition. New York: American Society of Mechanical Engineers (ASME); 2018:ICONE26-81445 (10 pp.). https://doi.org/10.1115/ICONE26-81445
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  • Fiorina C, Pautz A, Mikityuk K
    Creation of an OpenFOAM fuel performance class based on FRED and integration into the GeN-Foam multi-physics code
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Nuclear fuel and material, reactor physics, and transport theory. New York: American Society of Mechanical Engineers (ASME); 2018:ICONE26-81574 (7 pp.). https://doi.org/10.1115/ICONE26-81574
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  • Gerrard E, Mutt E, Nagata T, Koyanagi M, Flock T, Lesca E, et al.
    Convergent evolution of tertiary structure in rhodopsin visual proteins from vertebrates and box jellyfish
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2018; 115(24): 6201-6206. https://doi.org/10.1073/pnas.1721333115
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  • Guidez J, Bodi J, Mikityuk K, Rineiski A, Girardi E
    New safety measures proposed for European sodium fast reactor in Horizon-2020 ESFR-SMART project
    In: 2018 GIF symposium proceedings. sine loco: Generation IV International Forum; 2018:239-248.
    DORA PSI

Contact

Laboratory for Scientific
Computing and Modelling
Paul Scherrer Institute
OHSA/D10
5232 Villigen PSI
Switzerland

Head of Laboratory a.i.
Dr. Andreas Adelmann
Telephone: +41 56 310 4233
E-mail: Andreas.Adelmann@psi.ch

Assistant
Viviana Sabatini
Telephone: +41 56 310 2592
E-mail: Viviana.Sabatini@psi.ch

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