Publications

2025

Fragkos S, Fabre B, Tkach O, Petit S, Descamps D, Schönhense G, et al.
Floquet-Bloch valleytronics
Nature Communications. 2025; 16(1): 5799 (10 pp.). https://doi.org/10.1038/s41467-025-61076-7
DORA PSI
Olsson M, Klein A, Mozhzhukhina N, Xiong S, Appel C, Carlsen M, et al.
Resolving the sodiation process in hard carbon anodes with nanostructure specific X-ray imaging
Advanced Science. 2025. https://doi.org/10.1002/advs.202508635
DORA PSI
Halder S, Das K, Sen S, Halder S
Amino acid derived hydrogen bond donor (HBD) catalyst for the synthesis of cyclic carbonates and cyclic dithiocarbonates: experimental and computational studies
Asian Journal of Organic Chemistry. 2025. https://doi.org/10.1002/ajoc.202500244
DORA PSI
Al Daas H, Ballard G, Grigori L, Kumar S, Rouse K, Verite M
Communication lower bounds and optimal algorithms for symmetric matrix computations
ACM Transactions on Parallel Computing. 2025; 12(2): 6 (43 pp.). https://doi.org/10.1145/3727344
DORA PSI
Bastonero L, Malica C, Macke E, Bercx M, Huber S, Timrov I, et al.
First-principles Hubbard parameters with automated and reproducible workflows
npj Computational Materials. 2025; 11(1): 183 (13 pp.). https://doi.org/10.1038/s41524-025-01685-4
DORA PSI
Adelmann A, Bainbridge AR, Bailey I, Baldini A, Basnet S, Berger N, et al.
A compact frozen-spin trap for the search for the electric dipole moment of the muon
European Physical Journal C: Particles and Fields. 2025; 85(6): 622 (29 pp.). https://doi.org/10.1140/epjc/s10052-025-14295-7
DORA PSI
Fischbacher S, Kacprzak T, Tortorelli L, Moser B, Refregier A, Gebhardt P, et al.
GalSBI: phenomenological galaxy population model for cosmology using simulation-based inference
Journal of Cosmology and Astroparticle Physics. 2025; 2025(6): 007 (50 pp.). https://doi.org/10.1088/1475-7516/2025/06/007
DORA PSI
Ryzhkov MV, Enyashin AN, Delley B
First principles modeling of plutonium complexation in nitric and hydrochloric acid solutions
Radiochimica Acta. 2025. https://doi.org/10.1515/ract-2024-0372
DORA PSI
Hadžiabdić M, Hafizović M, Ničeno B
Revisiting turbulence modeling of Rayleigh-Bénard convection by using elliptic-relaxation approach
Physics of Fluids. 2025; 37(6): 065105 (18 pp.). https://doi.org/10.1063/5.0267880
DORA PSI
Blundell SJ, Bonacci M, Bonfà P, De Renzi R, Huddart BM, Lancaster T, et al.
Electronic structure calculations for muon spectroscopy
Electronic Structure. 2025; 7(2): 023001 (14 pp.). https://doi.org/10.1088/2516-1075/adcb7c
DORA PSI
Qu Q, Maiditsch IP, Heß M, Schulz-Mirbach T, Stampanoni M, Schlepütz CM
Measurement of sub-micron motion of fish hearing structures in 4D synchrotron CT
Measurement. 2025; 253: 117654 (10 pp.). https://doi.org/10.1016/j.measurement.2025.117654
DORA PSI
Sivianes J, Dos Santos FJ, Ibañez-Azpiroz J
Optical signatures of spin symmetries in unconventional magnets
Physical Review Letters. 2025; 134(19): 196907 (7 pp.). https://doi.org/10.1103/PhysRevLett.134.196907
DORA PSI
De Mestral V, Bastonero L, Kotiuga M, Mladenović M, Marzari N, Luisier M
Ab initio functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate
Physical Review B. 2025; 111(18): 184306 (12 pp.). https://doi.org/10.1103/PhysRevB.111.184306
DORA PSI
Beyer D, Vaccarin C, Schmid JV, Deberle LM, Deupi X, Schibli R, et al.
Design and preclinical evaluation of novel uPAR-targeting radiopeptides modified with an albumin-binding entity
Molecular Pharmaceutics. 2025; 22(6): 3242-3254. https://doi.org/10.1021/acs.molpharmaceut.5c00135
DORA PSI
Mühle J, Alenfelder J, Rodrigues MJ, Jürgenliemke L, Guixà-González R, Grätz L, et al.
Cyclic peptide inhibitors function as molecular glues to stabilize Gq/11 heterotrimers
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2025; 122(19): e2418398122 (12 pp.). https://doi.org/10.1073/pnas.2418398122
DORA PSI
Merboldt M, Schüler M, Schmitt D, Bange JP, Bennecke W, Gadge K, et al.
Observation of Floquet states in graphene
Nature Physics. 2025: 7047 (13 pp.). https://doi.org/10.1038/s41567-025-02889-7
DORA PSI
Date M, Petocchi F, Yen Y, Krieger JA, Pal B, Hasse V, et al.
Momentum-resolved fingerprint of Mottness in layer-dimerized Nb₃Br₈
Nature Communications. 2025; 16(1): 4037 (8 pp.). https://doi.org/10.1038/s41467-025-58885-1
DORA PSI
Herviou L, Rey A, Mila F
Singularity with and without disorder at Affleck-Kennedy-Lieb-Tasaki points
Physical Review B. 2025; 111(16): L161118 (6 pp.). https://doi.org/10.1103/PhysRevB.111.L161118
DORA PSI
Schneider JT, Ueda A, Liu Y, Läuchli AM, Oshikawa M, Tagliacozzo L
Self-congruent point in critical matrix product states: An effective field theory for finite-entanglement scaling
SciPost Physics. 2025; 18(4): 142 (33 pp.). https://doi.org/10.21468/SciPostPhys.18.4.142
DORA PSI
Koka T, Tsakiris MC, Haro BB, Muma M
cross-channel unlabeled sensing over a union of signal subspaces
In: Rao BD, Trancoso I, Sharma G, Mehta NB, eds. IEEE international conference on acoustics, speech, and signal processing. ICASSP, IEEE international conference on acoustics, speech and signal processing - Proceedings. Piscataway: Institute of Electrical and Electronics Engineers; 2025:10888212 (5 pp.). https://doi.org/10.1109/ICASSP49660.2025.10888212
DORA PSI
Trost F, Díaz-Tendero S, Lindenblatt H, Meister S, Schnorr K, Augustin S, et al.
Dynamics of highly-ionized diiodomethane: Coulomb explosion, energy exchange and rotating fragments
Journal of Physics B: Atomic, Molecular and Optical Physics. 2025; 58(8): 085101 (11 pp.). https://doi.org/10.1088/1361-6455/adc963
DORA PSI
Binci L, Marzari N, Timrov I
Magnons from time-dependent density-functional perturbation theory and nonempirical Hubbard functionals
npj Computational Materials. 2025; 11(1): 100. https://doi.org/10.1038/s41524-025-01570-0
DORA PSI
Wehinger B, Lisandrini FT, Kestin N, Bouillot P, Ward S, Thielemann B, et al.
Fingerprints of supersymmetric spin and charge dynamics observed by inelastic neutron scattering
Nature Communications. 2025; 16(1): 3228 (10 pp.). https://doi.org/10.1038/s41467-025-58380-7
DORA PSI
Bocquet H, Kleibert A, Derlet PM
Impact of planar defects on the reversal time of single magnetic domain nanoparticles
Physical Review Letters. 2025; 134(13): 136702 (6 pp.). https://doi.org/10.1103/PhysRevLett.134.136702
DORA PSI
Amato L, Grimm M, Müller M
Enhanced quantum sensitivity and coherence of symmetric magnetic clusters
Physical Review B. 2025; 111(13): 134406 (15 pp.). https://doi.org/10.1103/PhysRevB.111.134406
DORA PSI
Arumugam VK, Doll U, Mantzaras J
Catalytic and gas-phase combustion of SOFC off-gases over platinum surfaces: an experimental and numerical investigation at pressures up to 8 bar
Combustion and Flame. 2025; 276: 114167 (11 pp.). https://doi.org/10.1016/j.combustflame.2025.114167
DORA PSI
Williams LJ, Thompson AJ, Dijkstal P, Appleby M, Assmann G, Dworkowski FSN, et al.
Damage before destruction? X-ray-induced changes in single-pulse serial femtosecond crystallography
IUCrJ. 2025; 12(3): 1-14. https://doi.org/10.1107/S2052252525002660
DORA PSI
Katheras AS, Krack M, Zimmermann T, Scheinost AC, Churakov SV
Incorporation mechanism of Tc(IV) in magnetite revealed by EXAFS measurements and ab initio simulations
Journal of Physical Chemistry C. 2025; 129(12): 5921-5930. https://doi.org/10.1021/acs.jpcc.5c00357
DORA PSI
Olalde-Velasco P, Huang Y, Pelliciari J, Miyawaki J, Uldry A, Prabhakaran D, et al.
Electronic structure of Bi₂ Ir₂ O₇ probed by resonant inelastic x-ray scattering at the oxygen K edge: metallicity, hybridization, and electronic correlations
Physical Review B. 2025; 111(15): 155106 (15 pp.). https://doi.org/10.1103/PhysRevB.111.155106
DORA PSI
Carta A, Timrov I, Mlkvik P, Hampel A, Ederer C
Explicit demonstration of the equivalence between DFT+U and the Hartree-Fock limit of DFT+ DMFT
Physical Review Research. 2025; 7(1): 013289 (15 pp.). https://doi.org/10.1103/PhysRevResearch.7.013289
DORA PSI
Chang BK, Timrov I, Park J, Zhou JJ, Marzari N, Bernardi M
First-principles electron-phonon interactions and polarons in the parent cuprate La₂CuO₄
Physical Review Research. 2025; 7(1): L012073 (7 pp.). https://doi.org/10.1103/PhysRevResearch.7.L012073
DORA PSI
Ansuinelli P, Saha S, Flores LFB, Béjar Haro B, Ekinci Y, Mochi I
Prior–primed deep neural network based EUV mask inspection
Optics Express. 2025; 33(6): 12572-12590. https://doi.org/10.1364/OE.550387
DORA PSI
Menzi S, Mattina FL, Barbato F, Pena YA, Augustin S, Knopp G, et al.
Extending resonant inelastic X-ray scattering to extreme ultraviolet
Chimia. 2025; 79(1-2): 25-28. https://doi.org/10.2533/chimia.2025.25
DORA PSI
Mudry C, Aksoy ÖM, Chamon C, Furusaki A
Deconfined classical criticality in the anisotropic quantum spin-1/2 XY model on the square lattice
Physical Review B. 2025; 111(10): 104402 (10 pp.). https://doi.org/10.1103/PhysRevB.111.104402
DORA PSI
Horak J, Sidler D, Schnappinger T, Huang WM, Ruggenthaler M, Rubio A
Analytic model reveals local molecular polarizability changes induced by collective strong coupling in optical cavities
Physical Review Research. 2025; 7(1): 013242 (15 pp.). https://doi.org/10.1103/PhysRevResearch.7.013242
DORA PSI
Knurr J, Hemberger P, Ascher P, Augustin S, Hoffman DJ, Knopp G, et al.
Ultrathin liquid sheets: water gets in shape for VUV absorption
Physical Chemistry Chemical Physics. 2025; 27(13): 6457-6464. https://doi.org/10.1039/d4cp04619f
DORA PSI
Jaramillo-Sierra D, Stefanowska-Skrodzka M, Lavarenne J, Deveaux E, Brunetto E, Matocha V, et al.
PuMMA blind benchmark: performance of high plutonium content MOX fuel under irradiation
Nuclear Engineering and Design. 2025; 435: 113960 (15 pp.). https://doi.org/10.1016/j.nucengdes.2025.113960
DORA PSI
Unal O, Sakaridis C, Saha S, Van Gool L
Four ways to improve verbo-visual fusion for dense 3D visual grounding
In: Leonardis A, Ricci E, Roth S, Russakovsky O, Sattler T, Varol G, eds. Computer vision – ECCV 2024. 18th European conference. Vol. 15134. Lecture notes in computer science. Cham: Springer Nature; 2025:196-213. https://doi.org/10.1007 / 978-3-031-73116-7_12
DORA PSI
Cukrov A, Landek D, Sato Y, Boras I, Ničeno B
The development of the numerical method for simulation of metal material quenching
Rudarsko Geolosko Naftni Zbornik. 2025; 40(1): 29-50. https://doi.org/10.17794/rgn.2025.1.3
DORA PSI
Lautizi G, Lemmers SAM, Di Trapani V, Schmeltz M, Zdora MC, Broche L, et al.
X-ray scattering tensor tomography with a random wavefront modulator to study 3D microstructures in archaeological skeletal remains
Journal of Instrumentation. 2025; 20(2): C02028 (10 pp.). https://doi.org/10.1088/1748-0221/20/02/C02028
DORA PSI
Uhrin M, Zadoks A, Binci L, Marzari N, Timrov I
Machine learning Hubbard parameters with equivariant neural networks
npj Computational Materials. 2025; 11(1): 19 (10 pp.). https://doi.org/10.1038/s41524-024-01501-5
DORA PSI
Andersen TI, Astrakhantsev N, Karamlou AH, Berndtsson J, Motruk J, Szasz A, et al.
Thermalization and criticality on an analogue–digital quantum simulator
Nature. 2025; 638(8049): 79-85. https://doi.org/10.1038/s41586-024-08460-3
DORA PSI
le Mardelé F, Mohelský I, Wyzula J, Orlita M, Turek P, Troiani F, et al.
Probing spin-electric transitions in a molecular exchange qubit
Nature Communications. 2025; 16(1): 1198 (8 pp.). https://doi.org/10.1038/s41467-025-56453-1
DORA PSI
Cukrov A, Sato Y, Landek D, Hannoschöck N, Boras I, Ničeno B
Determination of heat transfer coefficient in a film boiling phase of an immersion quenching process
Applied Sciences. 2025; 15(3): 1021 (20 pp.). https://doi.org/10.3390/app15031021
DORA PSI
Serra M, Antonatos N, Lajaunie L, Albero J, Garcia H, Weng M, et al.
A photodetector based on the non-centrosymmetric 2D pseudo-binary chalcogenide MnIn₂Se₄
Journal of Materials Chemistry C. 2025; 13(10): 5356-5369. https://doi.org/10.1039/d4tc04380d
DORA PSI
Qin L, Liu M, Mantzaras J, Law CK, Sui R
Catalytic combustion of NH₃ in Pt-coated microchannels: A numerical study on the surface-gas chemistry coupling and its impact on product selectivity
Combustion and Flame. 2025; 274: 113989 (11 pp.). https://doi.org/10.1016/j.combustflame.2025.113989
DORA PSI
Rodriguez-Fernandez I, Bretschneider T, Menzel A, Suljevic O, Sommer NG, Weinberg AM, et al.
Physical exercise impacts bone remodeling around bio-resorbable magnesium implants
Acta Biomaterialia. 2025; 193: 623-631. https://doi.org/10.1016/j.actbio.2024.12.008
DORA PSI
Onuorah IJ, Bonacci M, Isah MM, Mazzani M, De Renzi R, Pizzi G, et al.
Automated computational workflows for muon spin spectroscopy
Digital Discovery. 2025; 4(2): 523-538. https://doi.org/10.1039/d4dd00314d
DORA PSI
Mitrakos D, Pilou M, King S, Dehbi A
An Eulerian CFD study for aerosol formation in a turbulent jet using the sectional method and a size-dependent particle surface tension
Journal of Aerosol Science. 2025; 184: 106520 (20 pp.). https://doi.org/10.1016/j.jaerosci.2024.106520
DORA PSI
Mudry C, Chamon C
Fractionalization of particles in physics. Invertible topological phases of matter
Cambridge: Cambridge University Press; 2025. https://doi.org/10.1017/9780511841828
DORA PSI
Pelloni S, Rochman D
Adjusting JEFF-3.3 actinide data using a new, dedicated methodology for selecting suited assimilation database parameters
Annals of Nuclear Energy. 2025; 215: 111246 (11 pp.). https://doi.org/10.1016/j.anucene.2025.111246
DORA PSI
Levitan A, Wakonig K, Gao Z, Kubec A, Kuan Chen B, Cohen O, et al.
Single-shot x-ray ptychography as a structured illumination method
Optics Letters. 2025; 50(2): 443-446. https://doi.org/10.1364/OL.545836
DORA PSI
Liu JC, Li C, Chahib O, Wang X, Rothenbühler S, Häner R, et al.
Spin excitations of high spin iron(II) in metal–organic chains on metal and superconductor
Advanced Science. 2025; 12(7): 2412351 (7 pp.). https://doi.org/10.1002/advs.202412351
DORA PSI
Arnold B, Hanusek T, Liu C, Nikitin K
Preliminary thermal-hydraulic safety analysis of the 600 thermal megawatt dual fluid reactor
Annals of Nuclear Energy. 2025; 213: 111090 (13 pp.). https://doi.org/10.1016/j.anucene.2024.111090
DORA PSI
Pelloni S, Rochman D
Adjusting aluminum elastic scattering data from the TALYS nuclear reaction code based upon fast criticalities
Annals of Nuclear Energy. 2025; 211: 111000 (11 pp.). https://doi.org/10.1016/j.anucene.2024.111000
DORA PSI
Albà A, Adelmann A, Rochman D
Uncertainty quantification of spent nuclear fuel with multifidelity Monte Carlo
Annals of Nuclear Energy. 2025; 211: 110892 (17 pp.). https://doi.org/10.1016/j.anucene.2024.110892
DORA PSI

2024

Krepel J, Ragusa JC
Molten salt reactor physics: characterization, neutronic performance, multiphysics coupling, and reduced-order modeling
In: Dolan TJ, Pázsit I, Rykhlevskii A, Yoshioka R, eds. Molten salt reactors and thorium energy. Woodhead Publishing series in energy. London: Elsevier; 2024:87-198. https://doi.org/10.1016/B978-0-323-99355-5.00018-5
DORA PSI
Krepel J, Kramer KJ
TerraPower fast chloride reactor
In: Dolan TJ, Pázsit I, Rykhlevskii A, Yoshioka R, eds. Molten salt reactors and thorium energy. Woodhead Publishing series in energy. London: Elsevier; 2024:953-972. https://doi.org/10.1016/B978-0-323-99355-5.00020-3
DORA PSI
Tohme T, Sadr M, Youcef-Toumi K, Hadjiconstantinou NG
MESSY estimation: maximum-entropy based stochastic and symbolic densitY estimation
Transactions on Machine Learning Research. 2024; 2024(1): 1-31. https://openreview.net/forum?id=Y2ru0LuQeS.
DORA PSI
Bourg S, Lee Y, Křepel J
Generation IV international forum
In: Dolan TJ, Kutsch J, eds. Global progress on molten salt reactors. A companion to Dolan' s molten salt reactors and thorium energy. Woodhead publishing series in energy. Cambridge, MA: Elsevier; 2024:202-212. https://doi.org/10.1016/B978-0-323-99129-2.00024-8
DORA PSI
Křepel J, Nichenko S, Gavillet D, Pautz A
Switzerland
In: Dolan TJ, Kutsch J, eds. Global progress on molten salt reactors. A companion to Dolan' s molten salt reactors and thorium energy. Woodhead publishing series in energy. Cambridge, MA: Elsevier; 2024:109-126. https://doi.org/10.1016/B978-0-323-99377-7.00016-9
DORA PSI
Andreev V, Arratia M, Baghdasaryan A, Baty A, Begzsuren K, Bolz A, et al.
Measurement of groomed event shape observables in deep-inelastic electron-proton scattering at HERA
European Physical Journal C: Particles and Fields. 2024; 84(7): 718 (44 pp.). https://doi.org/10.1140/epjc/s10052-024-12987-0
DORA PSI
Usmanova I, As Y, Kamgarpour M, Krause A
Log barriers for safe black-box optimization with application to safe reinforcement learning
Journal of Machine Learning Research. 2024; 25: 1-54. http://jmlr.org/papers/v25/22-0878.html.
DORA PSI
Mokos A, Sato Y, Niceno B, Churakov SV, Prasianakis NI
Nucleate boiling within a fuel assembly affected by CRUD
In: Zoia A, Diop CM, Saikali E, eds. Joint international conference on supercomputing in nuclear applications + Monte Carlo (SNA + MC 2024). Vol. 302. EPJ Web of Conferences. EDP Sciences; 2024:03003 (7 pp.). https://doi.org/10.1051/epjconf/202430203003
DORA PSI
Lautizi G, Di Trapani V, Studer A, Zdora M-C, De Marco F, Kim J, et al.
Robust dark-field signal extraction for modulation-based x-ray tensor tomography
Applied Physics Letters. 2024; 125(26): 264103 (5 pp.). https://doi.org/10.1063/5.0244120
DORA PSI
Bustamante CM, Sidler D, Ruggenthaler M, Rubio Á
The relevance of degenerate states in chiral polaritonics
Journal of Chemical Physics. 2024; 161(24): 244101 (9 pp.). https://doi.org/10.1063/5.0235935
DORA PSI
Marrazzo A, Beck S, Margine ER, Marzari N, Mostofi AA, Qiao J, et al.
Wannier-function software ecosystem for materials simulations
Reviews of Modern Physics. 2024; 96(4): 045008 (54 pp.). https://doi.org/10.1103/RevModPhys.96.045008
DORA PSI
Fogh E, Giriat G, Zayed ME, Piovano A, Boehm M, Steffens P, et al.
Spin waves and three dimensionality in the high-pressure antiferromagnetic phase of SrCu₂ (BO₃)₂
Physical Review Letters. 2024; 133(24): 246702 (7 pp.). https://doi.org/10.1103/PhysRevLett.133.246702
DORA PSI
Jaouni T, Di Colandrea F, Amato L, Cardano F, Karimi E
Process tomography of structured optical gates with convolutional neural networks
Machine Learning: Science and Technology. 2024; 5(4): 045071 (13 pp.). https://doi.org/10.1088/2632-2153/ad9ba8
DORA PSI
Lani G, Marzari N
Potential energy surfaces from many-body functionals: Analytical benchmarks and conserving many-body approximations
Physical Review Research. 2024; 6(4): 043304 (16 pp.). https://doi.org/10.1103/PhysRevResearch.6.043304
DORA PSI
Zadoks A, Marrazzo A, Marzari N
Spectral operator representations
npj Computational Materials. 2024; 10(1): 278 (12 pp.). https://doi.org/10.1038/s41524-024-01446-9
DORA PSI
Schubert Y, Luber S, Marzari N, Linscott E
Predicting electronic screening for fast Koopmans spectral functional calculations
npj Computational Materials. 2024; 10(1): 299 (12 pp.). https://doi.org/10.1038/s41524-024-01484-3
DORA PSI
Bao C, Schüler M, Xiao T, Wang F, Zhong H, Lin T, et al.
Manipulating the symmetry of photon-dressed electronic states
Nature Communications. 2024; 15(1): 10535 (10 pp.). https://doi.org/10.1038/s41467-024-54760-7
DORA PSI
Wilhelm PH, Läuchli AM, Scheurer MS
Ideal Chern bands with strong short-range repulsion: applications to correlated metals, superconductivity, and topological order
Physical Review Research. 2024; 6(4): 043240 (20 pp.). https://doi.org/10.1103/PhysRevResearch.6.043240
DORA PSI
Viljanen M, Appel C, Larsson E, Prajapati A, Fernandez Bordín SP, Asimakopoulou EM, et al.
Zooming into hierarchical materials by combined microtomographic and scattering-based imaging
Synchrotron Radiation News. 2024; 37(5): 10-15. https://doi.org/10.1080/08940886.2024.2414720
DORA PSI
Wang J, Normand B, Liu ZX
Multinode quantum spin liquids in extended Kitaev honeycomb models
npj Quantum Materials. 2024; 9: 94 (11 pp.). https://doi.org/10.1038/s41535-024-00704-9
DORA PSI
Bertrand Q, Nogly P, Nango E, Kekilli D, Khusainov G, Furrer A, et al.
Structural effects of high laser power densities on an early bacteriorhodopsin photocycle intermediate
Nature Communications. 2024; 15: 10278 (11 pp.). https://doi.org/10.1038/s41467-024-54422-8
DORA PSI
Szabó AL, Ramires A
Superconductivity-induced improper orders in nonsymmorphic systems
Physical Review B. 2024; 110(18): L180503 (6 pp.). https://doi.org/10.1103/PhysRevB.110.L180503
DORA PSI
Xu J, Chen G, Wang H, Cao S, Heng J, Deupi X, et al.
Calcineurin-fusion facilitates cryo-EM structure determination of a family A GPCR
Proceedings of the National Academy of Sciences of the United States of America PNAS. 2024; 121(48): e2414544121 (7 pp.). https://doi.org/10.1073/pnas.2414544121
DORA PSI
Blum V, Asahi R, Autschbach J, Bannwarth C, Bihlmayer G, Blügel S, et al.
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Electronic Structure. 2024; 6(4): 042501 (60 pp.). https://doi.org/10.1088/2516-1075/ad48ec
DORA PSI
Gangapuram AJ, Läuchli A, Hempel C
Benchmarking quantum computer simulation software packages: state vector simulators
SciPost Physics Core. 2024; 7(4): 075 (28 pp.). https://doi.org/10.21468/SciPostPhysCore.7.4.075
DORA PSI
Jiménez-Carrascosa A, Mikityuk K, Stauff N, Karahan A, Fridman E, Ponomarev A
Core design and neutronic analysis of the European sodium fast reactor with metallic fuel
In: Proceedings of the 2024 31st international conference on nuclear engineering (ICONE31). SMRs, advanced reactors, and fusion. Vol. 4. Danvers, MA: American Society of Mechanical Engineers (ASME); 2024:133069 (8 pp.). https://doi.org/10.1115/ICONE31-133069
DORA PSI
Sabol J, Křepel J
Effect of neutron leakage on equilibrium U-Pu and Th-U cycles for 16 selected reactors
In: Proceedings of the 2024 31st international conference on nuclear engineering (ICONE31). Student paper competition. Vol. 11. Danvers, MA: American Society of Mechanical Engineers (ASME); 2024:136237 (10 pp.). https://doi.org/10.1115/ICONE31-136237
DORA PSI
Křepel J, Borys F, Sabol J, Losa E
Comparison of EQL0D v2 and v4 Procedures by means of equilibrium U-Pu and Th-U cycles in 16 selected reactors
In: International conference on nuclear engineering. Vol. 2. Proceedings of 2024 31st international conference on nuclear engineering, ICONE 2024. New York City: American Society of Mechanical Engineers (ASME); 2024:v002t02a056 (9 pp.). https://doi.org/10.1115/ICONE31-136218
DORA PSI
Katheras AS, Karalis K, Krack M, Scheinost AC, Churakov SV
Computational study on the octahedral surfaces of magnetite nanoparticles and their solvent interaction
Environmental Science and Technology. 2024; 58(47): 21068-21076. https://doi.org/10.1021/acs.est.4c06531
DORA PSI
Sabol J, Borys F, Křepel J
Effect of fission products on equilibrium U-Pu and Th-U cycles for 16 selected reactors
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Hafizović M, Hadžiabdić M, Ničeno B
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Grinenko V, Sarkar R, Ghosh S, Das D, Guguchia Z, Luetkens H, et al.
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Fischbacher S, Kacprzak T, Blazek J, Refregier A
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Schüler M, Schmitt T, Werner P
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Fridman E, Nikitin E, Ponomarev A, Di Nora A, Kliem S, Mikityuk K
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Pelloni S, Rochman D
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Sayed MA, Hadžiabdić M, Dehbi A, Ničeno B, Mikityuk K
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Mantzaras J, Sui R, Bombach R
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2022

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Coupled neutronic-therma-hydraulic simulations of the European SFR core
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Roth B, Suckow D, Dehbi A
Experimental study of pool scrubbing related bubble hydrodynamics in the globule flow regime
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Gupta S, Herranz LE, Lebel LS, Sonnenkalb M, Pellegrini M, Marchetto C, et al.
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Fridman E, Álvarez Velarde F, Romojaro Otero P, Tsige-Tamirat H, Jiménez Carrascosa A, García Herranz N, et al.
Neutronic analysis of the European Sodium Fast Reactor: part I - fresh core results
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Ramires A
Carbon's lesson from a heavy friend
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Khatoonabadi M, Prasianakis IN, Mantzaras J
Lattice Boltzmann modeling and simulation of velocity and concentration slip effects on the catalytic reaction rate of strongly nonequimolar reactions in microflows
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Lenk K, Li J, Werner P, Eckstein M
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Yiu TWH, Fluri J, Kacprzak T
A tomographic spherical mass map emulator of the KiDS-1000 survey using conditional generative adversarial networks
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Rakcheev A, Läuchli AM
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Tang Y, Bejar B, Essoe JK-Y, McGuire JF, Vidal R
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Rakcheev A, Läuchli AM
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Choo K, Lapierre B, Kuhlenkamp C, Tiwari A, Neupert T, Chitra R
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Berner P, Refregier A, Sgier R, Kacprzak T, Tortorelli L, Monaco P
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Bodi J, Ponomarev A, Mikityuk K
Analysis of sodium boiling initiated by unprotected loss of flow in European sodium fast reactor core with different subassembly designs
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Hasik J, Mbeng GB, Capponi S, Becca F, Läuchli AM
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Nikitin SE, Fåk B, Krämer KW, Fennell T, Normand B, Läuchli AM, et al.
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Haider RS, Matthees ESF, Drube J, Reichel M, Zabel U, Inoue A, et al.
β-arrestin1 and 2 exhibit distinct phosphorylation-dependent conformations when coupling to the same GPCR in living cells
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Zhang S-B, Denner MM, Bzdušek T, Sentef MA, Neupert T
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Li M-H, Neupert T, Parameswaran SA, Tiwari A
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Bures L, Sato Y
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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
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
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
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
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
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
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