LSM Publication List (since 2018)

  • Dehbi A, Kelm S, Kalilainen J, Mueller H
    The influence of thermal radiation on the free convection inside enclosures
    Nuclear Engineering and Design. 2019; 341: 176-185. https://doi.org/10.1016/j.nucengdes.2018.10.025
    DORA PSI
  • Ehrenberg D, Varma N, Deupi X, Koyanagi M, Terakita A, Schertler GFX, et al.
    The two-photon reversible reaction of the bistable jumping spider rhodopsin-1
    Biophysical Journal. 2019; 116(7): 1248-1258. https://doi.org/10.1016/j.bpj.2019.02.025
    DORA PSI
  • Haider RS, Wilhelm F, Rizk A, Mutt E, Deupi X, Peterhans C, et al.
    Arrestin-1 engineering facilitates complex stabilization with native rhodopsin
    Scientific Reports. 2019; 9(1): 439. https://doi.org/10.1038/s41598-018-36881-4
    DORA PSI
  • Krepel J, Losa E
    Closed U-Pu and Th-U cycle in sixteen selected reactors: Comparison of major equilibrium features
    Annals of Nuclear Energy. 2019; 128: 341-357. https://doi.org/10.1016/j.anucene.2019.01.013
    DORA PSI
  • Kéri A, Dähn R, Krack M, Churakov SV
    Characterization of structural iron in smectites — an ab initio based x-ray absorption spectroscopy study
    Environmental Science and Technology. 2019; 53(12): 6877-6886. https://doi.org/10.1021/acs.est.8b06952
    DORA PSI
  • Kéri AG
    Mechanism of metal uptake by clay minerals ― X-ray spectroscopy and molecular modelling study
    2019.
    DORA PSI
  • Ma J-Z, Nie SM, Yi CJ, Jandke J, Shang T, Yao MY, et al.
    Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2
    Science Advances. 2019; 5(7): eaaw4718 (8 pp.). https://doi.org/10.1126/sciadv.aaw4718
    DORA PSI
  • Mantzaras J
    Progress in non-intrusive laser-based measurements of gas-phase thermoscalars and supporting modeling near catalytic interfaces
    Progress in Energy and Combustion Science. 2019; 70: 169-211. https://doi.org/10.1016/j.pecs.2018.10.005
    DORA PSI
  • Mayer D, Damberger FF, Samarasimhareddy M, Feldmueller M, Vuckovic Z, Flock T, et al.
    Distinct G protein-coupled receptor phosphorylation motifs modulate arrestin affinity and activation and global conformation
    Nature Communications. 2019; 10: 1261 (14 pp.). https://doi.org/10.1038/s41467-019-09204-y
    DORA PSI
  • Munk C, Mutt E, Isberg V, Nikolajsen LF, Bibbe JM, Flock T, et al.
    An online resource for GPCR structure determination and analysis
    Nature Methods. 2019; 16(2): 151-162. https://doi.org/10.1038/s41592-018-0302-x
    DORA PSI
  • Müller P, Karhan K, Krack M, Gerstmann U, Schmidt WG, Bauer M, et al.
    Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes
    Journal of Computational Chemistry. 2019; 40(5): 712-716. https://doi.org/10.1002/jcc.25641
    DORA PSI
  • Nagata T, Koyanagi M, Tsukamoto H, Mutt E, Schertler GFX, Deupi X, et al.
    The counterion–retinylidene Schiff base interaction of an invertebrate rhodopsin rearranges upon light activation
    Communications Biology. 2019; 2: 180 (9). https://doi.org/10.1038/s42003-019-0409-3
    DORA PSI
  • Pelloni S, Rochman D
    Enhancements along with application of the Asymptotic Progressing nuclear data Incremental Adjustment (APIA) methodology by individual assimilations of fast reactor data
    Annals of Nuclear Energy. 2019; 129: 79-89. https://doi.org/10.1016/j.anucene.2019.01.057
    DORA PSI
  • Posternak M, Baldereschi A, Delley B
    Adsorption of HPOx and CaHPOx (x=1,..4) molecules on anatase TiO
    DORA PSI
  • Ritler A, Shoshan MS, Deupi X, Wilhelm P, Schibli R, Wennemers H, et al.
    Elucidating the Structure-Activity Relationship of the Pentaglutamic Acid Sequence of Minigastrin with Cholecystokinin Receptor Subtype 2
    Bioconjugate Chemistry. 2019; 30(3): 657-666. https://doi.org/10.1021/acs.bioconjchem.8b00849
    DORA PSI
  • Safi MA, Mantzaras J, Prasianakis NI, Lamibrac A, Büchi FN
    A pore-level direct numerical investigation of water evaporation characteristics under air and hydrogen in the gas diffusion layers of polymer electrolyte fuel cells
    International Journal of Heat and Mass Transfer. 2019; 129: 1250-1262. https://doi.org/10.1016/j.ijheatmasstransfer.2018.10.042
    DORA PSI
  • Sendetskyi O, Scagnoli V, Leo N, Anghinolfi L, Alberca A, Lüning J, et al.
    Continuous magnetic phase transition in artificial square ice
    Physical Review B. 2019; 99(21): 214430 (11 pp.). https://doi.org/10.1103/PhysRevB.99.214430
    DORA PSI
  • Testa P, Style RW, Cui J, Donnelly C, Borisova E, Derlet PM, et al.
    Magnetically addressable shape‐memory and stiffening in a composite elastomer
    Advanced Materials. 2019: 1900561 (6 pp.). https://doi.org/10.1002/adma.201900561
    DORA PSI
  • Tsai C-J, Marino J, Adaixo R, Pamula F, Mühle J, Maeda S, et al.
    Cryo-EM structure of the rhodopsin-Gαi-βγ complex reveals binding of the rhodopsin C-terminal tail to the Gβ subunit
    eLife. 2019. https://doi.org/10.7554/eLife.46041
    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. https://doi.org/10.1073/pnas.1902192116
    DORA PSI
  • Adelmann A, Rogers CT, Sheehy SL
    Fixed Field Accelerators and Space Charge Modeling
    In: Schaa VRW, ed. HB2018 Proccedings. Vol. 61. ICFA Advanced Beam Dynamics Workshop. Geneva, Switzerland: JACoW Publishing; 2018. 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. 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
  • 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
  • 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
  • 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): 24412. 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
  • 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
  • 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: International conference on nuclear engineering, proceedings, ICONE. Vol. 3. American Society of Mechanical Engineers (ASME); 2018. 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
    DORA PSI
  • Grimmer H, Delley B
    Density functional theory calculations of merohedric twinning in KLiSO4
    Zeitschrift für Kristallographie: Crystalline Materials. 2018; 234(4): (7 pp.). https://doi.org/10.1515/zkri-2018-2126
    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: Proceedings of the 2018 International Congress on Advances in Nuclear Power Plants, ICAPP 2018. American Nuclear Society; 2018.
    DORA PSI
  • 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
  • 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
    DORA PSI
  • 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
    DORA PSI
  • Krepel J, Filippo MD, Mikityuk K, Prasser H-M
    Analysis of major group structures used for nuclear reactor simulations
    In: International conference on nuclear engineering, proceedings, ICONE. Vol. 9. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81445
    DORA PSI
  • Krepel J
    Core safety measures in ESFR-SMART
    In: PHYSOR 2018: Reactor Physics paving the way towards more efficient systems. ; 2018.
    DORA PSI
  • 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
  • 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
  • Mikityuk K
    New safety measures proposed for European Sodium Fast Reactor in Horizon-2020 ESFR-SMART project
    Presented at: GIF Symposium; October 16-17, 2018; Paris, France.
    DORA PSI
  • Mikityuk K, Ponomarev A
    Use of CAD models in ESFR-SMART project
    Presented at: GIF Symposium; October 16-17, 2018; Paris, France.
    DORA PSI
  • Mukin R, Puragliesi R, Pecchia M, Seidl M
    Subchannel modeling of single rod bowing in a bundle geometry
    Nuclear Engineering and Design. 2018; 340: 347-369. https://doi.org/10.1016/j.nucengdes.2018.09.032
    DORA PSI
  • Pelloni S, Rochman D
    Cross-section adjustment in the fast energy range on the basis of an Asymptotic Progressing nuclear data Incremental Adjustment (APIA) methodology
    Annals of Nuclear Energy. 2018; 115: 323-342. https://doi.org/10.1016/j.anucene.2018.01.037
    DORA PSI
  • Pelloni S, Rochman D
    Performance assessment of adjusted nuclear data along with their covariances on the basis of fast reactor experiments
    Annals of Nuclear Energy. 2018; 121: 361-373. https://doi.org/10.1016/j.anucene.2018.07.043
    DORA PSI
  • Ponomarev A, Mikityuk K
    New sodium fast reactor neutronics benchmark
    In: PHYSOR 2018: Reactor Physics paving the way towards more efficient systems. ; 2018.
    DORA PSI
  • Prévost B, Gauthier N, Pomjakushin VY, Delley B, Walker HC, Kenzelmann M, et al.
    Coexistence of magnetic fluctuations and long-range order in the one-dimensional J1-J2 zigzag chain materials BaDy2O4 and BaHO2O4
    Physical Review B. 2018; 94(14): 144428 (12 pp.). https://doi.org/10.1103/PhysRevB.98.144428
    DORA PSI
  • Radman S, Fiorina C, Mikityuk K, Pautz A
    A simplified numerical benchmark for pool-type sodium fast reactors
    In: International conference on nuclear engineering, proceedings, ICONE. Vol. 4. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE2682260
    DORA PSI
  • Rizzoglio V, Adelmann A, Baumgarten C, Meer D, Snuverink J, Talanov V
    On the accuracy of Monte Carlo based beam dynamics models for the degrader in proton therapy facilities
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2018; 898: 1-10. https://doi.org/10.1016/j.nima.2018.04.057
    DORA PSI
  • Rochman D, Bauge E, Vasiliev A, Ferroukhi H, Pelloni S, Koning AJ, et al.
    Monte Carlo nuclear data adjustment via integral information
    European Physical Journal Plus. 2018; 133(12): 537. https://doi.org/10.1140/epjp/i2018-12361-x
    DORA PSI
  • Rodríguez-Arias I, Müller M, Rosso A, De Luca A
    Exactly solvable model for dynamic nuclear polarization
    Physical Review B. 2018; 98(22): 224202. https://doi.org/10.1103/PhysRevB.98.224202
    DORA PSI
  • Sato Y, Smith BL, Niceno B
    Examples of pool-boiling simulations using an interface tracking method applied to nucleate boiling, departure from nucleate boiling and film boiling
    In: Thome JR, ed. Numerical modeling methodologies. Encyclopedia of two-phase heat transfer and flow III. Macro and micro flow boiling and numerical modeling fundamentals. Singapore: World Scientific Publishing Co Pte Ltd; 2018. https://doi.org/10.1142/9789813229440_0007
    DORA PSI
  • Sato Y, Niceno B
    Pool boiling simulation using an interface tracking method: From nucleate boiling to film boiling regime through critical heat flux
    International Journal of Heat and Mass Transfer. 2018; 125: 876-890. https://doi.org/10.1016/j.ijheatmasstransfer.2018.04.131
    DORA PSI
  • Scaramucci A, Shinaoka H, Mostovoy MV, Müller M, Mudry C, Troyer M, et al.
    Multiferroic magnetic spirals induced by random magnetic exchanges
    Physical Review X. 2018; 8(1): 011005 (9 pp.). https://doi.org/10.1103/PhysRevX.8.011005
    DORA PSI
  • Schildknecht D, Heyderman LJ, Derlet PM
    Phase diagram of dipolar-coupled XY moments on disordered square lattices
    Physical Review B. 2018; 98(6): 064420 (9 pp.). https://doi.org/10.1103/PhysRevB.98.064420
    DORA PSI
  • Siefman D, Hursin M, Rochman D, Pelloni S, Pautz A
    Stochastic vs. sensitivity-based integral parameter and nuclear data adjustments
    European Physical Journal Plus. 2018; 133(10): 429 (10 pp.). https://doi.org/10.1140/epjp/i2018-12303-8
    DORA PSI
  • Sridhar M, Mantzaras J, van Bokhoven JA, Kröcher O
    Numerical Modeling of Hydroperoxyl-Mediated Oxidative Dehydrogenation of Formic Acid under SCR-Relevant Conditions
    Industrial and Engineering Chemistry Research. 2018; 57(31): 10206-10215. https://doi.org/10.1021/acs.iecr.8b01592
    DORA PSI
  • Sui R, Es-sebbar E-touhami, Mantzaras J, Prasianakis NI
    Experimental and Numerical Investigation of Fuel-Lean H2/CO/Air and H2/CH4/Air Catalytic Microreactors
    Combustion Science and Technology. 2018; 190(2): 336-362. https://doi.org/10.1080/00102202.2017.1391231
    DORA PSI
  • Tsai C-J, Pamula F, Nehmé R, Mühle J, Weinert T, Flock T, et al.
    Crystal structure of rhodopsin in complex with a mini-Go sheds light on the principles of G protein selectivity
    Science Advances. 2018; 4(9): aat7052. https://doi.org/10.1126/sciadv.aat7052
    DORA PSI
  • Uzair A, Sabeeh K, Müller M
    Collision-dominated conductance in clean two-dimensional metals
    Physical Review B. 2018; 98(3): 35421. https://doi.org/10.1103/PhysRevB.98.035421
    DORA PSI
  • Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
    Statistical burnup distribution of moving pebbles in HTR-PM reactor
    In: International conference on nuclear engineering, proceedings, ICONE. Vol. 9. American Society of Mechanical Engineers (ASME); 2018. https://doi.org/10.1115/ICONE26-81082
    DORA PSI
  • Wehinger B, Fiolka C, Lanza A, Scatena R, Kubus M, Grockowiak A, et al.
    Giant pressure dependence and dimensionality switching in a metal-organic quantum antiferromagnet
    Physical Review Letters. 2018; 121(11): 117201 (7 pp.). https://doi.org/10.1103/PhysRevLett.121.117201
    DORA PSI
  • de Oliveira RGG, Mikityuk K
    Analytical solutions to a coupled fluid dynamics and neutron transport problem with application to GeN-Foam verification
    Annals of Nuclear Energy. 2018; 121: 446-451. https://doi.org/10.1016/j.anucene.2018.07.036
    DORA PSI
  • van Well N, Zaharko O, Delley B, Skoulatos M, Georgii R, van Smaalen S, et al.
    Magnetic Phase Diagram of the Triangular Antiferromagnetic Cs2CuCl4− xBrx Mixed System
    Annalen der Physik. 2018; 530(12): 1800270. https://doi.org/10.1002/andp.201800270
    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

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

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