Journal Articles

2024

‘Fraternal-twin’ ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

M. Kotiuga; K. M. Rabe

Journal Of Physics-Condensed Matter. 2024-09-04. Vol. 36, num. 35, p. 355603. DOI : 10.1088/1361-648X/ad5091.

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Non-negative matrix factorization-aided phase unmixing and trace element quantification of STEM-EDXS data

H. Chen; F. Nabiei; J. Badro; D. T. L. Alexander; C. Hebert

Ultramicroscopy. 2024-09-01. Vol. 263, p. 113981. DOI : 10.1016/j.ultramic.2024.113981.

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Electrodeposition of polyaniline on reduced graphene oxide/cotton yarn with tunable electrochemical performance for flexible textile supercapacitors

L. Li; D. Du; C. He; K. Han; W. Xu et al.

Polymer. 2024-06-21. Vol. 306, p. 127200. DOI : 10.1016/j.polymer.2024.127200.

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Exciton migration in two-dimensional materials

M. Malakhov; G. C. Cistaro; F. Martin; A. Picon

Communications Physics. 2024-06-18. Vol. 7, num. 1, p. 196. DOI : 10.1038/s42005-024-01689-4.

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Carbazole Treated Waterproof Perovskite Films with Improved Solar Cell Performance

J. Jeong; T. Chawanpunyawat; M. Kim; V. Slama; N. Lempesis et al.

Advanced Energy Materials. 2024-06-18. DOI : 10.1002/aenm.202401965.

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Magneto-Thermoelectric Transport in Graphene Quantum Dot with Strong Correlations

L. E. Anderson; A. Laitinen; A. Zimmerman; T. Werkmeister; H. Shackleton et al.

Physical Review Letters. 2024-06-12. Vol. 132, num. 24, p. 246502. DOI : 10.1103/PhysRevLett.132.246502.

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The high flux nano-X-ray diffraction, fluorescence and imaging beamline ID27 for science under extreme conditions on the ESRF Extremely Brilliant Source

M. Mezouar; G. Garbarino; S. Bauchau; W. Morgenroth; K. Martel et al.

High Pressure Research. 2024-06-11. DOI : 10.1080/08957959.2024.2363932.

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Dual-frame optimization for informationally complete quantum measurements

L. E. Fischer; T. Dao; I. Tavernelli; F. Tacchino

Physical Review A. 2024-06-11. Vol. 109, num. 6, p. 062415. DOI : 10.1103/PhysRevA.109.062415.

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Searching for the Thinnest Metallic Wire

C. Cignarella; D. Campi; N. Marzari

Acs Nano. 2024-06-07. Vol. 18, num. 25, p. 16101-16112. DOI : 10.1021/acsnano.3c12802.

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Light Emission and Conductance Fluctuations in Electrically Driven and Plasmonically Enhanced Molecular Junctions

S. P. Amirtharaj; Z. Xie; J. S. Y. See; G. Rolleri; K. Malchow et al.

Acs Photonics. 2024-06-06. Vol. 11, num. 6, p. 2388-2396. DOI : 10.1021/acsphotonics.4c00291.

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Memristive Control of Plasmon-Mediated Nonlinear Photoluminescence in Au Nanowires

D. K. Sharma; A. Agreda; F. Dell’Ova; K. Malchow; G. C. des Francs et al.

Acs Nano. 2024-06-03. DOI : 10.1021/acsnano.4c03276.

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Hydrogen-induced tunable remanent polarization in a perovskite nickelate

Y. Yuan; M. Kotiuga; T. J. Park; R. K. Patel; Y. Ni et al.

Nature Communications. 2024-06-03. Vol. 15, num. 1, p. 4717. DOI : 10.1038/s41467-024-49213-0.

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Alex’s Vision in Functional Quantum Matter

D. Pavuna

Condensed Matter. 2024-06-01. Vol. 9, num. 2, p. 23. DOI : 10.3390/condmat9020023.

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Intraday solar irradiance forecasting using public cameras

R. Sarkis; I. Oguz; D. Psaltis; M. Paolone; C. Moser et al.

Solar Energy. 2024-06-01. Vol. 275, p. 112600. DOI : 10.1016/j.solener.2024.112600.

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High Sodium Solubility in Magnesiowüstite in Iron-Rich Deep Lower Mantle

S. M. Dorfman; H. Hsu; F. Nabiei; M. Cantoni; J. Badro et al.

Geochemistry Geophysics Geosystems. 2024-06-01. Vol. 25, num. 6, p. e2023GC011390. DOI : 10.1029/2023GC011390.

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Orbital-Resolved DFT plus U for Molecules and Solids

E. Macke; I. Timrov; N. Marzari; L. C. Ciacchi

Journal Of Chemical Theory And Computation. 2024-05-31. Vol. 20, num. 11, p. 4824-4843. DOI : 10.1021/acs.jctc.3c01403.

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Terahertz emission from diamond nitrogen-vacancy centers

S. Kollarics; B. G. Markus; R. Kucsera; G. Thiering; A. Gali et al.

Science Advances. 2024-05-29. Vol. 10, num. 22, p. eadn0616. DOI : 10.1126/sciadv.adn0616.

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Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

R. R. Katzbaer; S. Gelin; M. J. Theibault; M. M. Khan; C. Chandler et al.

Journal Of Physical Chemistry C. 2024-05-23. DOI : 10.1021/acs.jpcc.4c00341.

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Solvation Free Energies from Machine Learning Molecular Dynamics

N. Bonnet; N. Marzari

Journal Of Chemical Theory And Computation. 2024-05-21. Vol. 20, num. 11, p. 4820-4823. DOI : 10.1021/acs.jctc.4c00116.

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Band Gap Renormalization at Different Symmetry Points in Perovskites

L. Wang; R. Nughays; J. Yin; C-H. Shih; T-F. Guo et al.

Acs Photonics. 2024-05-17. DOI : 10.1021/acsphotonics.4c00082.

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Tuning the color of high-karat gold in Au-TiO2 nanoparticle composites all the way to black

L. Rossi; E. Horvath; T. Wang; C. Grimaldi; A. Sienkiewicz et al.

Iscience. 2024-05-17. Vol. 27, num. 5, p. 109655. DOI : 10.1016/j.isci.2024.109655.

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The rule of four: anomalous distributions in the stoichiometries of inorganic compounds (vol 10, 73, 2024 )

E. Gazzarrini; R. K. Cersonsky; M. Bercx; C. S. Adorf; N. Marzari

Npj Computational Materials. 2024-05-13. Vol. 10, num. 1, p. 103. DOI : 10.1038/s41524-024-01284-9.

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Large impact of phonon lineshapes on the superconductivity of solid hydrogen

D. Dangic; L. Monacelli; R. Bianco; F. Mauri; I. Errea

Communications Physics. 2024-05-09. Vol. 7, num. 1, p. 150. DOI : 10.1038/s42005-024-01643-4.

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Flash Melting Amorphous Ice

N. J. Mowry; C. R. Krüger; G. Bongiovanni; M. Drabbels; U. Lorenz

The Journal of Chemical Physics. 2024-05-09. Vol. 160, num. 184502. DOI : 10.1063/5.0202948.

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Magnetic structure and magnetoelectric properties of the spin-flop phase in LiFePO4

S. Holm-Janas; M. Akaki; E. Fogh; T. Kihara; M. D. Le et al.

Physical Review B. 2024-05-06. Vol. 109, num. 17, p. 174413. DOI : 10.1103/PhysRevB.109.174413.

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Molecular intercalation in the van der Waals antiferromagnets FePS3 and NiPS3

C. Li; Z. Hu; X. Hou; S. Xu; Z. Wu et al.

Physical Review B. 2024-05-03. Vol. 109, num. 18, p. 184407. DOI : 10.1103/PhysRevB.109.184407.

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A compact approach to higher-resolution resonant inelastic x-ray scattering detection using photoelectrons

J. O. Schunck; J. Buck; R. Y. Engel; S. R. Kruse; S. Marotzke et al.

New Journal Of Physics. 2024-05-01. Vol. 26, num. 5, p. 053008. DOI : 10.1088/1367-2630/ad4206.

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Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

U. Ranieri; L. del Rosso; L. E. Bove; M. Celli; D. Colognesi et al.

Journal Of Chemical Physics. 2024-04-28. Vol. 160, num. 16, p. 164706. DOI : 10.1063/5.0200867.

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Ultraviolet Superradiance from Mega-Networks of Tryptophan in Biological Architectures

N. S. Babcock; G. Montes-Cabrera; K. E. Oberhofer; M. Chergui; G. L. Celardo et al.

Journal Of Physical Chemistry B. 2024-04-19. Vol. 128, num. 17, p. 4035-4046. DOI : 10.1021/acs.jpcb.3c07936.

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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

M. L. Evans; J. P. Bergsma; A. Merkys; C. W. Andersen; O. B. Andersson et al.

Digital Discovery. 2024-04-18. DOI : 10.1039/d4dd00039k.

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Perspective Alkaline electrolyzers: Powering industries and overcoming fundamental challenges

N. Dubouis; D. Ayme-Perrot; D. Degoulange; A. Grimaud; H. Girault

Joule. 2024-04-17. Vol. 8, num. 4, p. 883-898. DOI : 10.1016/j.joule.2024.02.012.

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The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

E. Gazzarrini; R. K. Cersonsky; M. Bercx; C. S. Adorf; N. Marzari

Npj Computational Materials. 2024-04-12. Vol. 10, num. 1, p. 73. DOI : 10.1038/s41524-024-01248-z.

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Shaped Laser Pulses for Microsecond Time-Resolved Cryo-EM: Outrunning Crystallization during Flash Melting

C. R. Krüger; N. J. Mowry; M. Drabbels; U. Lorenz

The Journal of Physical Chemistry Letters. 2024-04-11. num. 15, p. 4244−4248. DOI : 10.1021/acs.jpclett.4c00315.

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Gargiulo et al. Reply

S. Gargiulo; M. F. Gu; F. Carbone; I. Madan

Physical Review Letters. 2024-03-22. Vol. 132, num. 12, p. 129202. DOI : 10.1103/PhysRevLett.132.129202.

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Electron Glass Phase with Resilient Zhang-Rice Singlets in LiCu3O3

A. Consiglio; G. Gatti; E. Martino; L. Moreschini; J. C. Johannsen et al.

Physical Review Letters. 2024-03-20. Vol. 132, num. 12, p. 126502. DOI : 10.1103/PhysRevLett.132.126502.

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Automated all-functionals infrared and Raman spectra

L. Bastonero; N. Marzari

Npj Computational Materials. 2024-03-15. Vol. 10, num. 1, p. 55. DOI : 10.1038/s41524-024-01236-3.

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Performance polyamides built on a sustainable carbohydrate core

L. P. Manker; M. A. C. Hedou; C. Broggi; M. J. F. Jones; K. Kortsen et al.

Nature Sustainability. 2024-03-13. DOI : 10.1038/s41893-024-01298-7.

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Field-controlled multicritical behavior and emergent universality in fully frustrated quantum magnets

Y. Fan; N. Xi; C. Liu; B. Normand; R. Yu

Npj Quantum Materials. 2024-03-09. Vol. 9, num. 1, p. 25. DOI : 10.1038/s41535-024-00636-4.

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Thouless pumping in Josephson junction arrays

S. Athanasiou; I. E. Nielsen; M. M. Wauters; M. Burrello

Scipost Physics. 2024-03-01. Vol. 16, num. 3, p. 083. DOI : 10.21468/SciPostPhys.16.3.083.

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High-resolution MHz time- and angle-resolved photoemission spectroscopy based on a tunable vacuum ultraviolet source

L. Hellbruck; M. Puppin; F. Guo; D. D. Hickstein; S. Benhabib et al.

Review Of Scientific Instruments. 2024-03-01. Vol. 95, num. 3, p. 033007. DOI : 10.1063/5.0179549.

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Open-source microscope add-on for structured illumination microscopy

M. T. M. Hannebelle; E. Raeth; S. M. Leitao; T. Lukes; J. Pospisil et al.

Nature Communications. 2024-02-20. Vol. 15, num. 1, p. 1550. DOI : 10.1038/s41467-024-45567-7.

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Pressure stabilization effect on the donor-acceptor polyiodide chains in tetraethylammonium bis(diiodine) triiodide – insights from Raman spectroscopy

T. Poreba; P. Macchi; N. Casati; T. Sieranski

Dalton Transactions. 2024-02-15. Vol. 53, num. 11, p. 5152-5159. DOI : 10.1039/d4dt00268g.

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High-throughput screening of Weyl semimetals

D. Grassano; N. Marzari; D. Campi

Physical Review Materials. 2024-02-09. Vol. 8, num. 2, p. 024201. DOI : 10.1103/PhysRevMaterials.8.024201.

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Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity

J. Zheng; C. Lin; C. Lin; G. Hautier; R. Guo et al.

Npj Computational Materials. 2024-02-06. Vol. 10, num. 1, p. 30. DOI : 10.1038/s41524-024-01211-y.

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Type-I antiferromagnetic Weyl semimetal InMnTi2

D. Grassano; L. Binci; N. Marzari

Physical Review Research. 2024-02-02. Vol. 6, num. 1, p. 013140. DOI : 10.1103/PhysRevResearch.6.013140.

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Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide

P. Bonf; I. J. Onuorah; F. Lang; I. Timrov; L. Monacelli et al.

Physical Review Letters. 2024-01-24. Vol. 132, num. 4, p. 046701. DOI : 10.1103/PhysRevLett.132.046701.

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On-site and intersite Hubbard corrections in magnetic monolayers: The case of FePS3 and CrI3

F. Haddadi; E. B. Linscott; I. Timrov; N. Marzari; M. Gibertini

Physical Review Materials. 2024-01-24. Vol. 8, num. 1, p. 014007. DOI : 10.1103/PhysRevMaterials.8.014007.

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Weyl metallic state induced by helical magnetic order

J-R. Soh; I. Sanchez-Ramirez; X. Yang; J. Sun; I. Zivkovic et al.

Npj Quantum Materials. 2024-01-12. Vol. 9, num. 1, p. 7. DOI : 10.1038/s41535-023-00604-4.

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High-Temperature Phase Transitions Preceding the Decomposition of Mixed Valence Aluminum Titanate Pseudobrookite

D. Tolj; W. Bi; Y. Liu; I. Zivkovic; H. M. Ronnow et al.

Crystal Growth & Design. 2024-01-08. Vol. 24, num. 2, p. 688-695. DOI : 10.1021/acs.cgd.3c01043.

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Influence of ionization and cumulative effects on laser-induced crystallization in multilayer dielectrics

R. Ricca; V. Boureau; Y. Bellouard

Physical Review Materials. 2024. Vol. 8, num. 6. DOI : 10.1103/PhysRevMaterials.8.063402.

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Microsecond time-resolved cryo-electron microscopy

U. Lorenz

Current Opinion in Structural Biology. 2024. Vol. 87, p. 102840. DOI : 10.1016/j.sbi.2024.102840.

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Distributed Temperature Alarm System Based on Incoherent Optical Time-Domain Reflectometry and Side Air-Hole Optical Fibers

Y. Yang; M. A. Soto; L. Thévenaz

Journal of Lightwave Technology. 2024. p. 1-9. DOI : 10.1109/JLT.2024.3403189.

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AN EXACT BANDIT MODEL FOR THE RISK-VOLATILITY TRADEOFF

M-O. Hongler; R. Rivier

Journal Of Dynamics And Games. 2024-04-24. DOI : 10.3934/jdg.2024011.

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An intense source of very cold neutrons using solid deuterium and nanodiamonds for the European Spallation Source

N. Rizzi; B. Folsom; M. Akhyani; M. Bertelsen; P. Boeni et al.

Nuclear Instruments & Methods In Physics Research Section A-Accelerators Spectrometers Detectors And Associated Equipment. 2024-03-04. Vol. 1062, p. 169215. DOI : 10.1016/j.nima.2024.169215.

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Biomass screening for syngas production by flash photopyrolysis

A. Mellalou; W. O. Silva; M. Soutrenon; H. H. Girault; A. Outzourhit et al.

Rsc Advances. 2024-04-10. Vol. 14, num. 17, p. 11706-11714. DOI : 10.1039/d4ra01845a.

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Spin-Reorientation-Driven Linear Magnetoelectric Effect in Topological Antiferromagnet Cu3TeO6

V. Kisicek; D. Dominko; M. Culo; Z. Rapljenovic; M. Kuvezdic et al.

Physical Review Letters. 2024-02-26. Vol. 132, num. 9, p. 096701. DOI : 10.1103/PhysRevLett.132.096701.

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Teaching about non-deterministic physics: an almost forgotten fundamental contribution of Marie Curie

G. Margaritondo

European Journal Of Physics. 2024-05-01. Vol. 45, num. 3, p. 035803. DOI : 10.1088/1361-6404/ad312e.

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Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation

M. Kilic; B. Ensing

Journal Of Physical Chemistry B. 2024-03-22. Vol. 128, num. 13, p. 3069-3080. DOI : 10.1021/acs.jpcb.3c06245.

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Dual-shot approach for polarization retrieval through a scattering medium

A. Roy; R. Parvin; A. Karmakar; A. Mandal; R. K. Singh et al.

Journal Of Optics. 2024-04-01. Vol. 26, num. 4, p. 045608. DOI : 10.1088/2040-8986/ad2ed9.

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Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave

J. Diego; D. Subires; A. H. Said; D. A. Chaney; A. Korshunov et al.

Physical Review B. 2024-01-16. Vol. 109, num. 3, p. 035133. DOI : 10.1103/PhysRevB.109.035133.

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Disentangling Thermal from Electronic Contributions in the Spectral Response of Photoexcited Perovskite Materials

L. Wang; R. Nughays; T. C. H. Rossi; M. Oppermann; W. Ogieglo et al.

Journal Of The American Chemical Society. 2024-02-15. Vol. 146, num. 8, p. 5393-5401. DOI : 10.1021/jacs.3c12832.

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Multimaterial Volumetric Printing of Silica-Based Glasses

L. Barbera; J. Madrid-Wolff; R. Emma; K. Masania; A. Boniface et al.

Advanced Materials Technologies. 2024-02-21. DOI : 10.1002/admt.202202117.

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Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics

Z. T. Zhang; J. Vanicek

The Journal of Chemical Physics. 2024. Vol. 160, num. 8, p. 084103. DOI : 10.1063/5.0187823.

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High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism

G. C. Moore; M. K. Horton; E. B. Linscott; A. M. Ganose; M. Siron et al.

Physical Review Materials. 2024-01-29. Vol. 8, num. 1, p. 014409. DOI : 10.1103/PhysRevMaterials.8.014409.

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High-order geometric integrators for the local cubic variational Gaussian wavepacket dynamics

R. Moghaddasi Fereidani; J. J. L. Vanicek

Journal Of Chemical Physics. 2024-01-28. Vol. 160, num. 4, p. 044113. DOI : 10.1063/5.0180070.

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Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

K. Ji; M. Schnedler; Q. Lan; F. Zheng; Y. Wang et al.

Applied Physics Express. 2024-01-01. Vol. 17, num. 1, p. 016505. DOI : 10.35848/1882-0786/ad163d.

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Femtosecond-laser direct-write photoconductive patterns on tellurite glass

G. Torun; A. Romashkina; T. Kishi; Y. Bellouard

Physical Review Applied. 2024. Vol. 21, num. 1. DOI : 10.1103/PhysRevApplied.21.014008.

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2023

Optical and thermal characterization of a group-III nitride semiconductor membrane by microphotoluminescence spectroscopy and Raman thermometry

M. Elhajhasan; W. Seemann; K. Dudde; D. Vaske; G. Callsen et al.

Physical Review B. 2023-12-29. Vol. 108, num. 23, p. 235313. DOI : 10.1103/PhysRevB.108.235313.

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Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3

G. Gebreyesus; L. Bastonero; M. Kotiuga; N. Marzari; I. Timrov

Physical Review B. 2023-12-27. Vol. 108, num. 23, p. 235171. DOI : 10.1103/PhysRevB.108.235171.

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Observation of the most H2-dense filled ice under high pressure

U. Ranieri; S. Di Cataldo; M. Rescigno; L. Monacelli; R. Gaal et al.

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2023-12-26. Vol. 120, num. 52, p. e2312665120. DOI : 10.1073/pnas.2312665120.

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Structure, Spin Correlations, and Magnetism of the S=1/2 Square-Lattice Antiferromagnet Sr2CuTe1-xWxO6 (0 ≤ x ≤ 1)

O. H. J. Mustonen; E. Fogh; J. A. M. Paddison; L. Mangin-Thro; T. Hansen et al.

Chemistry Of Materials. 2023-12-25. Vol. 36, num. 1, p. 501-513. DOI : 10.1021/acs.chemmater.3c02535.

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Rapid low-cost hyperspectral imaging system for quantitative assessment of infantile hemangioma

S. Perkov; V. Vorobev; M. A. Kurochkin; S. Gorodkov; D. Gorin

Journal Of Biophotonics. 2023-12-09. DOI : 10.1002/jbio.202300375.

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Microscopic origin of polarization-entangled Stokes-anti-Stokes photons in diamond

T. A. Freitas; P. Machado; L. Valente; D. Sier; R. Correa et al.

Physical Review A. 2023-11-20. Vol. 108, num. 5, p. L051501. DOI : 10.1103/PhysRevA.108.L051501.

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Scalable angular spectrum propagation

R. Heintzmann; L. Loetgering; F. Wechsler

Optica. 2023-11-20. Vol. 10, num. 11, p. 1407-1416. DOI : 10.1364/OPTICA.497809.

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Dynamical nuclear polarization for dissipation-induced entanglement in NV centers

S. Khandelwal; S. Kumar; N. Palazzo; G. Haack; M. S. Chipaux

Physical Review B. 2023-11-13. Vol. 108, num. 17, p. 174418. DOI : 10.1103/PhysRevB.108.174418.

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Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

T. Poreba; I. Kicior

Rsc Advances. 2023-11-07. Vol. 13, num. 47, p. 33305-33317. DOI : 10.1039/d3ra06957e.

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Automated mixing of maximally localized Wannier functions into target manifolds

J. Qiao; G. Pizzi; N. Marzari

Npj Computational Materials. 2023-10-31. Vol. 9, num. 1, p. 206. DOI : 10.1038/s41524-023-01147-9.

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Liposomes and Lipid Droplets Display a Reversal of Charge-Induced Hydration Asymmetry

S. Pullanchery; N. Dupertuis; T. Roesel; S. Roke

Nano Letters. 2023-10-23. Vol. 23, num. 21, p. 9858-9864. DOI : 10.1021/acs.nanolett.3c02653.

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Asymmetric phase modulation of light with parity-symmetry broken metasurfaces

E. Mikheeva; R. Colom; K. Achouri; A. Overvig; F. Binkowski et al.

Optica. 2023-10-20. Vol. 10, num. 10, p. 1287-1294. DOI : 10.1364/OPTICA.495681.

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Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

N. Rivano; N. Marzari; T. Sohier

Npj Computational Materials. 2023-10-18. Vol. 9, num. 1, p. 194. DOI : 10.1038/s41524-023-01140-2.

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Phonon Self-Energy Corrections: To Screen, or Not to Screen

J. Berges; N. Girotto; T. Wehling; N. Marzari; S. Ponce

Physical Review X. 2023-10-17. Vol. 13, num. 4, p. 041009. DOI : 10.1103/PhysRevX.13.041009.

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Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid

T. Poreba; M. Swiatkowski; G. Confalonieri

Crystengcomm. 2023-10-04. Vol. 25, num. 42, p. 5932-5941. DOI : 10.1039/d3ce00940.

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Optically detected magnetic resonance with an open source platform

H. Babashah; H. Shirzad; E. Losero; V. Goblot; C. Galland et al.

Scipost Physics Core. 2023-10-01. Vol. 6, num. 4, p. 065. DOI : 10.21468/SciPostPhysCore.6.4.065.

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Nonlinear optical feature generator for machine learning

M. Yildirim; I. Oguz; F. Kaufmann; M. R. Escale; R. Grange et al.

Apl Photonics. 2023-10-01. Vol. 8, num. 10, p. 106104. DOI : 10.1063/5.0158611.

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Noncollinear DFT plus U and Hubbard parameters with fully relativistic ultrasoft pseudopotentials

L. Binci; N. Marzari

Physical Review B. 2023-09-26. Vol. 108, num. 11, p. 115157. DOI : 10.1103/PhysRevB.108.115157.

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Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe₂

T. Xie; A. A. Eberharter; J. Xing; S. Nishimoto; M. Brando et al.

Npj Quantum Materials. 2023-09-23. Vol. 8, num. 1, p. 48. DOI : 10.1038/s41535-023-00580-9.

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Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

E. Kletnieks; Y. Calvino Alonso; J. Vanicek

The Journal of Physical Chemistry. 2023-09-22. DOI : 10.1021/acs.jpca.3c04607.

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Improving planar optode lifetime: encapsulation and optical release of pH-sensing optodes and assessment of their lifetime in situ

V. Fay; O. Zhang; R. Cao; C. Yang

Journal Of Soils And Sediments. 2023-09-14. DOI : 10.1007/s11368-023-03650-4.

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Complementary screening for quantum spin Hall insulators in two-dimensional exfoliable materials

D. Grassano; D. Campi; A. Marrazzo; N. Marzari

Physical Review Materials. 2023-09-13. Vol. 7, num. 9, p. 094202. DOI : 10.1103/PhysRevMaterials.7.094202.

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Fast viral dynamics revealed by microsecond time-resolved cryo-EM

O. F. Harder; S. V. Barrass; M. Drabbels; U. Lorenz

Nature Communications. 2023-09-13. Vol. 14, p. 5649. DOI : 10.1038/s41467-023-41444-x.

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Multipolar Pseudochirality-Induced Optical Torque

K. Achouri; M. Chung; A. Kiselev; O. J. F. Martin

Acs Photonics. 2023-09-07. Vol. 10, num. 9, p. 3275-3282. DOI : 10.1021/acsphotonics.3c00696.

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High-order geometric integrators for the variational Gaussian approximation

R. Moghaddasi Fereidani; J. Vanicek

The Journal of Chemical Physics. 2023-09-07. Vol. 159, num. 9. DOI : 10.1063/5.0165489.

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Hybridization driving distortions and multiferroicity in rare-earth nickelates

L. Binci; M. Kotiuga; I. Timrov; N. Marzari

Physical Review Research. 2023-09-01. Vol. 5, num. 3, p. 033146. DOI : 10.1103/PhysRevResearch.5.033146.

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Investigation of the Impact of Point Defects in InGaN/GaN Quantum Wells with High Dislocation Densities

P. Lottigier; D. M. Di Paola; D. T. L. Alexander; T. F. K. Weatherley; P. S. d. S. M. Modrono et al.

Nanomaterials. 2023-09-01. Vol. 13, num. 18, p. 2569. DOI : 10.3390/nano13182569.

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Liquid-activated quantum emission from native hBN defects for nanofluidic sensing

N. Ronceray; Y. You; E. Glushkov; M. Lihter; B. Rehl et al.

Nature Materials. 2023-08-31. Vol. 2023. DOI : 10.1038/s41563-023-01658-2.

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Diffuse spin waves and classical spin liquid behavior in the kagome antiferromagnet chromium jarosite, KCr3(OD)6(SO4)2

S. Holm-Janas; S. L. Lolk; A. B. A. Andersen; T. Guidi; D. Voneshen et al.

Physical Review B. 2023-08-29. Vol. 108, num. 6, p. 064432. DOI : 10.1103/PhysRevB.108.064432.

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koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

E. B. Linscott; N. Colonna; R. De Gennaro; N. L. Nguyen; G. Borghi et al.

Journal Of Chemical Theory And Computation. 2023-08-23. DOI : 10.1021/acs.jctc.3c00652.

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Negative Refractive Index in Dielectric Crystals Containing Stoichiometric Rare-Earth Ions

M. C. Berrington; M. J. Sellars; J. J. Longdell; H. M. Ronnow; H. H. Vallabhapurapu et al.

Advanced Optical Materials. 2023-08-18. DOI : 10.1002/adom.202301167.

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Pressure dependence of superconducting properties of layered BaNi2P2

Y. Lee; R. Gaal; D. Evtushinsky; I. Zivkovic; I. Morozov et al.

Physica C-Superconductivity And Its Applications. 2023-08-15. Vol. 611, p. 1354286. DOI : 10.1016/j.physc.2023.1354286.

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Reviews

2023

A review of materials used in tomographic volumetric additive manufacturing

J. Madrid-Wolff; J. Toombs; R. Rizzo; P. N. Bernal; D. Porcincula et al.

Mrs Communications. 2023-08-29. DOI : 10.1557/s43579-023-00447.

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