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
  • 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, 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
  • 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
  • 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
  • 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
  • Ryzhkov MV, Enyashin AN, Delley B
    Plutonium complexes in water: new approach to ab initio modeling
    Radiochimica Acta. 2021: (16 pp.). 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
  • 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
  • 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
    Physical Review B. 2020; 102(20): 205418 (12 pp.). https://doi.org/10.1103/PhysRevB.102.205418
    DORA PSI
  • Saxena A, Prasser H-M
    A study of two-phase annular flow using unsteady numerical computations
    International Journal of Multiphase Flow. 2020; 126: 103037 (16 pp.). https://doi.org/10.1016/j.ijmultiphaseflow.2019.05.003
    DORA PSI
  • Sayed M, Hadziabdic M, Dehbi A, Niceno B, Mikityuk K
    On the prediction of turbulent kinetic energy in channel flow using wall-modeled large eddy simulations
    In: AIAA scitech forum. Vol. 1. AIAA scitech 2020 forum. Reston, VA: AIAA; 2020. https://doi.org/10.2514/6.2020-1329
    DORA PSI
  • Shams A, Roelofs F, Tiselj I, Oder J, Bartosiewicz Y, Duponcheel M, et al.
    A collaborative effort towards the accurate prediction of turbulent flow and heat transfer in low-Prandtl number fluids
    Nuclear Engineering and Design. 2020; 366: 110750 (19 pp.). https://doi.org/10.1016/j.nucengdes.2020.110750
    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
  • Sui R, Liang W, Mantzaras J, Law CK
    Coupled reaction mechanism reduction for the hetero-/homogeneous combustion of syngas over platinum
    Combustion and Flame. 2020; 214: 37-46. https://doi.org/10.1016/j.combustflame.2019.12.020
    DORA PSI
  • Sui R, Liang W, Zhang L, Mantzaras J, Law CK
    Kinetic interactions between H2 and CO in catalytic oxidation over PdO
    Combustion and Flame. 2020; 211: 270-280. https://doi.org/10.1016/j.combustflame.2019.09.035
    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
  • Tiberga M, de Oliveira RGG, Cervi E, Blanco JA, Lorenzi S, Aufiero M, et al.
    Results from a multi-physics numerical benchmark for codes dedicated to molten salt fast reactors
    Annals of Nuclear Energy. 2020; 142: 107428 (19 pp.). https://doi.org/10.1016/j.anucene.2020.107428
    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
    DORA PSI
  • Tiwari A, Li M-H, Bernevig BA, Neupert T, Parameswaran SA
    Unhinging the surfaces of higher-order topological insulators and superconductors
    Physical Review Letters. 2020; 124(4): 046801 (6 pp.). https://doi.org/10.1103/PhysRevLett.124.046801
    DORA PSI
  • Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
    Statistical burnup distribution of moving pebbles in the HTR-PM reactor
    Journal of Nuclear Engineering and Radiation Science. 2020; 6(2): 021108 (14 pp.). https://doi.org/10.1115/1.4044910
    DORA PSI
  • Wessler C, Roessli B, Krämer KW, Delley B, Waldmann O, Keller L, et al.
    Observation of plaquette fluctuations in the spin-1/2 honeycomb lattice
    npj Quantum Materials. 2020; 5(1): 85 (7 pp.). https://doi.org/10.1038/s41535-020-00287-1
    DORA PSI
  • Wojcik CC, Sun X-Q, Bzdušek T, Fan S
    Homotopy characterization of non-Hermitian Hamiltonians
    Physical Review B. 2020; 101(20): 205417 (17 pp.). https://doi.org/10.1103/PhysRevB.101.205417
    DORA PSI
  • Čarija Z, Ledić F, Sikirica A, Niceno B
    CFD study of the PTS experiment in ROCOM test facility
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    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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
  • Guidez J, Rineiski A, Prêle G, Girardi E, Bodi J, Mikityuk K
    Proposal of new safety measures for European Sodium Fast Reactor to be evaluated in framework of Horizon-2020 ESFR-SMART project
    In: 2018 international congress on advances in nuclear power plants (ICAPP 2018). La Grange Park, IL, USA: American Nuclear Society; 2018:26-35. https://doi.org/10.5281/zenodo.1309316
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  • Gómez Tamayo JC, Olivella M, Ríos S, Hoogstraat M, Gonzalez A, Mayol E, et al.
    GPCR-SAS: a web application for statistical analyses on G protein-coupled receptors sequences
    PLoS One. 2018; 13(7): e0199843 (14 pp.). https://doi.org/10.1371/journal.pone.0199843
    DORA PSI
  • Halouane Y, Dehbi A
    CFD simulation of hydrogen mitigation by a passive autocatalytic recombiner
    Nuclear Engineering and Design. 2018; 330: 488-496. https://doi.org/10.1016/j.nucengdes.2018.01.018
    DORA PSI
  • Jekal S
    Dependence of atomic thickness on interfacial conditions and magnetocrystalline anisotropy in SmCo5/Sm2Co17 multilayer
    Materials. 2018; 12(1): 56 (7 pp.). https://doi.org/10.3390/ma12010056
    DORA PSI
  • Kalilainen J, Kim H, Dehbi A, Lind T
    Aerosol depletion in natural circulation in simplified geometry
    In: International congress on advances in nuclear power plants (ICAPP 2018). Vol. 1. Illinois: American Nuclear Society; 2018:571-577.
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  • Kim H, Dehbi A, Kalilainen J
    Measurements and LES computations of a turbulent particle-laden flow inside a cubical differentially heated cavity
    Atmospheric Environment. 2018; 186: 216-228. https://doi.org/10.1016/j.atmosenv.2018.05.037
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  • Kolano A, Adelmann A, Barlow R, Baumgarten C
    Intensity limits of the PSI Injector II cyclotron
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2018; 885: 54-59. https://doi.org/10.1016/j.nima.2017.12.045
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  • Küchemann S, Derlet PM, Liu C, Rosenthal D, Sparks G, Larson WS, et al.
    Energy storage in metallic glasses via flash annealing
    Advanced Functional Materials. 2018; 28(50): 1805385 (9 pp.). https://doi.org/10.1002/adfm.201805385
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  • Lehmann J, Donnelly C, Derlet PM, Heyderman LJ, Fiebig M
    Poling of an artificial magneto-toroidal crystal
    Nature Nanotechnology. 2018; 14(2): 141-144. https://doi.org/10.1038/s41565-018-0321-x
    DORA PSI
  • Leo N, Holenstein S, Schildknecht D, Sendetskyi O, Luetkens H, Derlet PM, et al.
    Collective magnetism in an artificial 2D XY spin system
    Nature Communications. 2018; 9(1): 2850 (8 pp.). https://doi.org/10.1038/s41467-018-05216-2
    DORA PSI
  • Li S, Puragliesi R, Adamsson C
    Subcooled boiling natural convective two-phase CFD simulation and application
    In: Advances in thermal hydraulics 2018 (ATH 2018). LaGrange Park, USA: American Nuclear Society; 2018:1100-1111.
    DORA PSI
  • Liu Y, Dinh N, Sato Y, Niceno B
    Data-driven modeling for boiling heat transfer: using deep neural networks and high-fidelity simulation results
    Applied Thermal Engineering. 2018; 144: 305-320. https://doi.org/10.1016/j.applthermaleng.2018.08.041
    DORA PSI
  • Maaß R, Derlet PM
    Micro-plasticity and recent insights from intermittent and small-scale plasticity
    Acta Materialia. 2018; 143: 338-363. https://doi.org/10.1016/j.actamat.2017.06.023
    DORA PSI
  • Mambelli S, Mikityuk K, Panadero A-L
    Chugging boiling in low-void SFR core: new phenomenology of unprotected loss of flow
    In: Fast reactors and related fuel cycles: next generation nuclear systems for sustainable development (FR17). Proceedings of an international conference organized by the International Atomic Energy Agency, hosted by the government of the Russian Federation through the state atomic energy corporation "Rosatom" and held in Yekaterinburg, Russian Federation, 26–29 June 2017. Vol. CN245. Proceedings series (International Atomic Energy Agency). Vienna: International Atomic Energy Agency; 2018:451 (9 pp.).
    DORA PSI
  • Mora Méndez DF, Niffenegger M, Qian G, Jaros M, Niceno B
    3D FEM modeling of crack initiation in a reactor pressure vessel during a PTS event (LBLOCA)
    In: ASME 2018 pressure vessels and piping conference. Proceedings papers. Materials and fabrication. Vol. 6A. PVP - American Society of Mechanical Engineers. Pressure vessels and piping division. sine loco: American Society of Mechanical Engineers (ASME); 2018:PVP2018-85024 (8 pp.). https://doi.org/10.1115/PVP2018-85024
    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

NES Open positions

Current job openings in the Research Division for Nuclear Energy and Safety

Directions to PSI

How to get to the Paul Scherrer Institute (description and map)