LSM Publication List (since 2018)

  • 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
  • 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
  • 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. 2020. https://doi.org/10.1016/j.proci.2020.06.149
    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. 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
  • 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, 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
  • 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
  • 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
  • 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
  • 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
  • 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. 2020. https://doi.org/10.1016/j.proci.2020.06.029
    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
  • 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
  • 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
    The European Physical Journal A. 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. https://doi.org/10.1038/s41592-020-0884-y
    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
  • 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. 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, 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. 2020. https://doi.org/10.1016/j.proci.2020.06.262
    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
  • 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
    Nuclear Engineering and Technology. 2020. https://doi.org/10.1016/j.net.2020.06.002
    DORA PSI
  • Adelmann A
    On nonintrusive uncertainty quantification and surrogate model construction in particle accelerator modeling
    SIAM-ASA Journal on Uncertainty Quantification. 2019; 7(2): 383-416. https://doi.org/10.1137/16M1061928
    DORA PSI
  • Alam SB, de Oliveira RGG, Goodwin CS, Parks GT
    Coupled neutronic/thermal-hydraulic hot channel analysis of high power density civil marine SMR cores
    Annals of Nuclear Energy. 2019; 127: 400-411. https://doi.org/10.1016/j.anucene.2018.12.031
    DORA PSI
  • Andreani M, Paranjape S
    Modelling of the interaction of two heat sources simulating the thermal effects of PARs
    Presented at: ICAPP 2019 - International congress on advances in nuclear power plants; May 12-15, 2019; Juan-les-pins, France.
    DORA PSI
  • Andreani M, Gaikwad AJ, Ganju S, Gera B, Grigoryev S, Herranz LE, et al.
    Synthesis of a CFD benchmark exercise based on a test in the PANDA facility addressing the stratification erosion by a vertical jet in presence of a flow obstruction
    Nuclear Engineering and Design. 2019; 354: 110177 (31 pp.). https://doi.org/10.1016/j.nucengdes.2019.110177
    DORA PSI
  • Antipas GSE, Karalis KT
    Direct determination of amorphous number density from the reduced pair distribution function
    MethodsX. 2019; 6: 601-605. https://doi.org/10.1016/j.mex.2019.03.005
    DORA PSI
  • Arani BO, Frouzakis CE, Mantzaras J, Boulouchos K
    Direct numerical simulations of turbulent catalytic and gas-phase combustion of H2/air over Pt at practically-relevant Reynolds numbers
    Proceedings of the Combustion Institute. 2019; 37(4): 5489-5497. https://doi.org/10.1016/j.proci.2018.05.103
    DORA PSI
  • Arava H, Leo N, Schildknecht D, Cui J, Vijayakumar J, Derlet PM, et al.
    Engineering relaxation pathways in building blocks of artificial spin ice for computation
    Physical Review Applied. 2019; 11(5): 054086 (8 pp.). https://doi.org/10.1103/PhysRevApplied.11.054086
    DORA PSI
  • Bliven SE, Lafita A, Rose PW, Capitani G, Prlić A, Bourne PE
    Analyzing the symmetrical arrangement of structural repeats in proteins with CE-Symm
    PLoS Computational Biology. 2019; 15(4): e1006842 (18 pp.). https://doi.org/10.1371/journal.pcbi.1006842
    DORA PSI
  • Bocharov D, Rafalskij Y, Krack M, Putnina M, Kuzmin A
    Negative thermal expansion of ScF3: first principles vs empirical molecular dynamics
    In: Vol. 503. IOP conference series: materials science and engineering. sine loco: IOP; 2019:01201 (4 pp.). https://doi.org/10.1088/1757-899X/503/1/012001
    DORA PSI
  • Chen J-H, Mudry C, Chamon C, Tsvelik AM
    Model of spin liquids with and without time-reversal symmetry
    Physical Review B. 2019; 99(18): 184445 (13 pp.). https://doi.org/10.1103/PhysRevB.99.184445
    DORA PSI
  • Cozzo C, Ngayam-Happy R, Chen J-C, Pecchia M, Girardin G
    Modeling of the U3Si2/SiC fuel system behavior for a RIA scenario
    In: Global/top fuel 2019. LaGrange Park, IL, USA: American Nuclear Society (ANS); 2019:643-647.
    DORA PSI
  • Cui T, Schütt M, Orth PP, Fernandes RM
    Postquench gap dynamics of two-band superconductors
    Physical Review B. 2019; 100(14): 144513 (16 pp.). https://doi.org/10.1103/PhysRevB.100.144513
    DORA PSI
  • Das A, Derlet PM, Liu C, Dufresne EM, Maaß R
    Stress breaks universal aging behavior in a metallic glass
    Nature Communications. 2019; 10(1): 5006 (9 pp.). https://doi.org/10.1038/s41467-019-12892-1
    DORA PSI
  • 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
  • Es-sebbar E-touhami, Bénilan Y, Fray N, Cottin H, Jolly A, Gazeau M-C
    VUV spectral irradiance measurements in H2/He/Ar microwave plasmas and comparison with solar data
    Astrophysical Journal: Supplement Series. 2019; 240(1): 7 (8 pp.). https://doi.org/10.3847/1538-4365/aaf0a1
    DORA PSI
  • Frey M, Snuverink J, Baumgarten C, Adelmann A
    Matching of turn pattern measurements for cyclotrons using multiobjective optimization
    Physical Review Accelerators and Beams. 2019; 22(6): 064602 (13 pp.). https://doi.org/10.1103/PhysRevAccelBeams.22.064602
    DORA PSI
  • Gairola A, Guo W, Niceno B, Bindra H
    Statistical emulator models for scalar mixing in reactor safety analysis
    In: 18th international topical meeting on nuclear reactor thermal hydraulics (NURETH-18). LaGrange Park, USA: American Nuclear Society (ANS); 2019:3257-3269.
    DORA PSI
  • Grimmer H, Delley B
    Density functional theory calculations of merohedric twinning in KLiSO4
    Zeitschrift für Kristallographie: Crystalline Materials. 2019; 234(4): 211-217. https://doi.org/10.1515/zkri-2018-2126
    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 (13 pp.). https://doi.org/10.1038/s41598-018-36881-4
    DORA PSI
  • Hombourger B, Křepel J, Pautz A
    Breed-and-burn fuel cycle in molten salt reactors
    EPJ Nuclear Sciences and Technologies. 2019; 5: 15 (10 pp.). https://doi.org/10.1051/epjn/2019026
    DORA PSI
  • Hotz F, Tiwari A, Turker O, Meng T, Stern A, Koch-Janusz M, et al.
    Exactly soluble model for a fractionalized Weyl semimetal
    Physical Review Research. 2019; 1(3): 033029 (5 pp.). https://doi.org/10.1103/PhysRevResearch.1.033029
    DORA PSI
  • Iadecola T, Neupert T, Chamon C, Mudry C
    Ground-state degeneracy of non-Abelian topological phases from coupled wires
    Physical Review B. 2019; 99(24): 245138 (27 pp.). https://doi.org/10.1103/PhysRevB.99.245138
    DORA PSI
  • Jekal S, Danilo A, Phuong D, Zheng X
    First-principles prediction of skyrmionic phase behavior in GdFe2 films capped by 4d and 5d transition metals
    Applied Sciences. 2019; 9(4): 630 (7 pp.). https://doi.org/10.3390/app9040630
    DORA PSI
  • Karalis K, Ludwig C, Niceno B
    Supercritical water anomalies in the vicinity of the Widom line
    Scientific Reports. 2019; 9(1): 15731 (10 pp.). https://doi.org/10.1038/s41598-019-51843-0
    DORA PSI
  • Kirschner J, Nonnenmacher M, Mutný M, Krause A, Hiller N, Ischebeck R, et al.
    Bayesian optimisation for fast and safe parameter tuning of SwissFEL
    In: Decking W, Sinn H, Geloni G, Schreiber S, Marx M, Schaa VRW, eds. 39th international free-electron laser conference. FEL2019. Proceedings. Vol. 39. Free electron laser conference. Geneva: JACoW Publishing; 2019:707-710. https://doi.org/10.18429/JACoW-FEL2019-THP061
    DORA PSI
  • Kranjčević M, Gorgi Zadeh S, Adelmann A, Arbenz P, van Rienen U
    Constrained multiobjective shape optimization of superconducting rf cavities considering robustness against geometric perturbations
    Physical Review Accelerators and Beams. 2019; 22(12): 122001 (14 pp.). https://doi.org/10.1103/PhysRevAccelBeams.22.122001
    DORA PSI
  • Kranjčević M, Adelmann A, Arbenz P, Citterio A, Stingelin L
    Multi-objective shape optimization of radio frequency cavities using an evolutionary algorithm
    Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 2019; 920: 106-114. https://doi.org/10.1016/j.nima.2018.12.066
    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
  • Latgé C, Vasile A, Mikityuk K, Garbil R
    Teaching fast reactors within the frame of European Union projects
    In: Conference on nuclear training and education 2019 (CONTE 2019). LaGrange Park, USA: American Nuclear Society (ANS); 2019:56-57. https://doi.org/10.5281/zenodo.2658891
    DORA PSI
  • Liu X, Vinograd VL, Nichenko S, Kulik DA, Lu X, Winkler B
    Emulation of short-range ordering within the compound energy formalism: application to the calcite-magnesite solid solution
    Calphad. 2019; 64: 115-125. https://doi.org/10.1016/j.calphad.2018.11.012
    DORA PSI
  • Losa E, Košťál M, Jánský B, Novák E, Rypar V, Chvála O, et al.
    Simulations of advanced reactor cores in research light water reactor LR-0
    Nuclear Engineering and Design. 2019; 342: 205-209. https://doi.org/10.1016/j.nucengdes.2018.12.007
    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
  • Maxim F, Contescu C, Boillat P, Niceno B, Karalis K, Testino A, et al.
    Visualization of supercritical water pseudo-boiling at Widom line crossover
    Nature Communications. 2019; 10: 4114 (11 pp.). https://doi.org/10.1038/s41467-019-12117-5
    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
  • Mora DF, Niffenegger M, Qian G, Jaros M, Niceno B
    Modelling of reactor pressure vessel subjected to pressurized thermal shock using 3D-XFEM
    Nuclear Engineering and Design. 2019; 353: 110237 (13 pp.). https://doi.org/10.1016/j.nucengdes.2019.110237
    DORA PSI
  • Moreau V, Profir M, Alemberti A, Frignani M, Merli F, Belka M, et al.
    Pool CFD modelling: lessons from the SESAME project
    Nuclear Engineering and Design. 2019; 355: 110343 (12 pp.). https://doi.org/10.1016/j.nucengdes.2019.110343
    DORA PSI
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    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 (15 pp.). 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; 2018:225-263. 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
  • Shams A, Edh N, Angele K, Veber P, Howard R, Braillard O, et al.
    Synthesis of a CFD benchmarking exercise for a T-junction with wall
    Nuclear Engineering and Design. 2018; 330: 199-216. https://doi.org/10.1016/j.nucengdes.2018.01.049
    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, Liang W, Mantzaras J, Law CK
    Catalytic ignition and pressure dependence of methane/air combustion over palladium oxide
    In: Proceedings of the 2018 spring ESSCI meeting. Talks 2A01-2A17. Pennsylvania: The Pennsylvania State University; 2018:2A03 (6 pp.).
    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
  • Thiery T, Huveneers F, Müller M, De Roeck W
    Many-body delocalization as a quantum avalanche
    Physical Review Letters. 2018; 121(14): 140601 (6 pp.). https://doi.org/10.1103/PhysRevLett.121.140601
    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 (9 pp.). 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): 035421 (16 pp.). https://doi.org/10.1103/PhysRevB.98.035421
    DORA PSI
  • Venot O, Bénilan Y, Fray N, Gazeau M-C, Lefèvre F, Es-sebbar E, et al.
    VUV-absorption cross section of carbon dioxide from 150 to 800 K and applications to warm exoplanetary atmospheres
    Astronomy and Astrophysics. 2018; 609: A34 (13 pp.). https://doi.org/10.1051/0004-6361/201731295
    DORA PSI
  • Vitullo F, Krepel J, Kalilainen J, Prasser H-M, Pautz A
    Statistical burnup distribution of moving pebbles in HTR-PM reactor
    In: Proceedings of the 26th international conference on nuclear engineering (ICONE26). Student Paper Competition. New York: American Society of Mechanical Engineers (ASME); 2018:ICONE26-81082 (10 pp.). 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 (8 pp.). 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

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

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