100 latest LACUS publications

Journal Articles

2021

Rapid melting and revitrification as an approach to microsecond time-resolved cryo-electron microscopy

J. M. Voss; O. F. Harder; P. Olshin; M. Drabbels; U. Lorenz 

Elsevier. 2021-06-11. Vol. 778, p. 138812. DOI : 10.1016/j.cplett.2021.138812.

Multimodal host–guest complexation for efficient and stable perovskite photovoltaics

H. Zhang; F. T. Eickemeyer; Z. Zhou; M. Mladenović; F. Jahanbakhshi et al. 

Nature Communications. 2021-06-07. Vol. 12, num. 1, p. 3383. DOI : 10.1038/s41467-021-23566-2.

Investigating Magma Ocean Solidification on Earth Through Laser‐Heated Diamond Anvil Cell Experiments

F. Nabiei; J. Badro; C-E. Boukaré; C. Hébert; M. Cantoni et al. 

Geophysical Research Letters. 2021-06-01. Vol. 48, num. 12. DOI : 10.1029/2021GL092446.

Synchrotron Radiation and Sensors: A History of Synergies

Y. Hwu; G. Margaritondo 

Ieee Sensors Journal. 2021-06-01. Vol. 21, num. 11, p. 12764-12773. DOI : 10.1109/JSEN.2020.3023292.

On the use of a digital twin to enhance femtosecond laser inscription of arbitrary phase patterns

O. Bernard; Y. Bellouard 

Journal of Physics: Photonics. 2021-05-25. DOI : 10.1088/2515-7647/abf743.

Intrinsic luminescence blinking from plasmonic nanojunctions

W. Chen; P. A. Rölli; A. Ahmed; S. S. Verlekar; H. Hu et al. 

Nature Communications. 2021-05-21. Vol. 12, num. 1, p. 2731. DOI : 10.1038/s41467-021-22679-y.

Contactless Optical Packaging Concept for Laser to Fiber Coupling

S. I. Nazir; Y. Bellouard 

IEEE Transactions on Components, Packaging and Manufacturing Technology. 2021-05-18. Vol. 11, num. 6, p. 1035-1043. DOI : 10.1109/TCPMT.2021.3080513.

Experimental Observation and Spin Texture of Dirac Node Arcs in Tetradymite Topological Metals

J. Dai; E. Frantzeskakis; N. Aryal; Chen; F. Fortuna et al. 

Physical Review Letters. 2021-05-14. Vol. 126, num. 19, p. 196407. DOI : 10.1103/PhysRevLett.126.196407.

Direct-write laser-induced self-organization and metallization beyond the focal volume in tellurite glass

G. Torun; T. Kishi; Y. Bellouard 

Physical Review Materials. 2021-05-14. Vol. 5, num. 5, p. 1-10, 055201. DOI : 10.1103/PhysRevMaterials.5.055201.

Composition and Pressure Effects on Partitioning of Ferrous Iron in Iron-Rich Lower Mantle Heterogeneities

S. Dorfman; F. Nabiei; C-E. Boukaré; V. B. Prakapenka; M. Cantoni et al. 

Minerals. 2021-05-12. Vol. 11, num. 5, p. 512. DOI : 10.3390/min11050512.

Photonic Flash Synthesis of Mo2C/Graphene Electrocatalyst for the Hydrogen Evolution Reaction

D. Reynard; B. Nagar; H. Girault 

Acs Catalysis. 2021-05-07. Vol. 11, num. 9, p. 5865-5872. DOI : 10.1021/acscatal.1c00770.

Synchrotron radiation and X-ray free-electron lasers (X-FELs) explained to all users, active and potential

Y. Hwu; G. Margaritondo 

Journal Of Synchrotron Radiation. 2021-05-01. Vol. 28, p. 1014-1029. DOI : 10.1107/S1600577521003325.

Degradation study on molecules released from laser-based jet injector

J. Krizek; B. Lavickova; C. Moser 

International Journal of Pharmaceutics. 2021-04-30. Vol. 602, p. 120664. DOI : 10.1016/j.ijpharm.2021.120664.

A highly elastic polysiloxane-based polymer electrolyte for all-solid-state lithium metal batteries

C. Fu; M. Iacob; Y. Sheima; C. Battaglia; L. Duchene et al. 

Journal Of Materials Chemistry A. 2021-04-29. DOI : 10.1039/d1ta02689e.

Frustration-driven magnetic fluctuations as the origin of the low-temperature skyrmion phase in Co7Zn7Mn6

V. Ukleev; K. Karube; P. M. Derlet; C. N. Wang; H. Luetkens et al. 

Npj Quantum Materials. 2021-04-23. Vol. 6, num. 1, p. 40. DOI : 10.1038/s41535-021-00342-5.

Hard X-ray transient grating spectroscopy on bismuth germanate

J. R. Rouxel; D. Fainozzi; R. Mankowsky; B. Rosner; G. Seniutinas et al. 

Nature Photonics. 2021-04-22. DOI : 10.1038/s41566-021-00797-9.

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory

J. Roulet; J. Vaníček 

The Journal of Chemical Physics. 2021-04-19. Vol. 154, num. 15, p. 154106. DOI : 10.1063/5.0050071.

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors

C. Q. Xia; J. Peng; S. Ponce; J. B. Patel; A. D. Wright et al. 

Journal Of Physical Chemistry Letters. 2021-04-15. Vol. 12, num. 14, p. 3607-3617. DOI : 10.1021/acs.jpclett.1c00619.

First-principles theory of infrared vibrational spectroscopy of metals and semimetals: Application to graphite

L. Binci; P. Barone; F. Mauri 

Physical Review B. 2021-04-13. Vol. 103, num. 13, p. 134304. DOI : 10.1103/PhysRevB.103.134304.

Ultrafast Resonant Interatomic Coulombic Decay Induced by Quantum Fluid Dynamics

A. LaForge; R. Michiels; Y. Ovcharenko; A. Ngai; J. Escartín et al. 

Physical Review. 2021-04-12. Vol. X11, num. 2, p. 021011. DOI : 10.1103/PhysRevX.11.021011.

An Intrinsically-Adhesive Family of Injectable and Photo-Curable Hydrogels with Functional Physicochemical Performance for Regenerative Medicine

P. Karami; N. Nasrollahzadeh; C. Wyss; A. O’Sullivan; M. Broome et al. 

Macromolecular Rapid Communications. 2021-04-08.  p. 2000660. DOI : 10.1002/marc.202000660.

Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations

T. Begušić; J. Vaníček 

CHIMIA International Journal for Chemistry. 2021-04-01. Vol. 75, num. 4, p. 261-266. DOI : 10.2533/chimia.2021.261.

Ultrafast pulse shaping modulates perceived visual brightness in living animals

G. Gaulier; Q. Dietschi; S. Bhattacharyya; C. Schmidt; M. Montagnese et al. 

Science Advances. 2021-04-01. Vol. 7, num. 18, p. eabe1911. DOI : 10.1126/sciadv.abe1911.

3DPD: A photogrammetric pipeline for a PUSH frame stereo cameras

E. Simioni; C. Re; T. Mudric; G. Cremonese; S. Tulyakov et al. 

Planetary And Space Science. 2021-04-01. Vol. 198, p. 105165. DOI : 10.1016/j.pss.2021.105165.

Role of electric currents in the Fano resonances of connected plasmonic structures

M. Riccardi; O. J. F. Martin 

Optics Express. 2021-03-30. Vol. 29, num. 8, p. 11635-11644. DOI : 10.1364/OE.421951.

Predicting optical transmission through complex scattering media from reflection patterns with deep neural networks

K. Skarsoulis; E. Kakkava; D. Psaltis 

Optics Communications. 2021-03-26. Vol. 492, p. 126968. DOI : 10.1016/j.optcom.2021.126968.

How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?

S. Choi; J. Vaníček 

The Journal of Chemical Physics. 2021-03-25. Vol. 154, num. 12, p. 124119. DOI : 10.1063/5.0046067.

Biodegradable Harmonophores for Targeted High-Resolution In Vivo Tumor Imaging

A. Y. Sonay; K. Kalyviotis; S. Yaganoglu; A. Unsal; M. Konantz et al. 

Acs Nano. 2021-03-23. Vol. 15, num. 3, p. 4144-4154. DOI : 10.1021/acsnano.0c10634.

Vibration monitoring based on optical sensing of mechanical nonlinearities in glass suspended waveguides

E. Casamenti; T. Yang; P. Vlugter; Y. Bellouard 

Optics Express. 2021-03-23. Vol. 29, num. 7, p. 10853. DOI : 10.1364/OE.414191.

High Li-ion conductivity in tetragonal LGPO: A comparative first-principles study against known LISICON and LGPS phases

G. Materzanini; L. Kahle; A. Marcolongo; N. Marzari 

Physical Review Materials. 2021-03-22. Vol. 5, num. 3, p. 035408. DOI : 10.1103/PhysRevMaterials.5.035408.

Polarization-sensitive optics diffraction tomography

A. Saba; J. Lim; A. B. Ayoub; E. E. Antoine; D. Psaltis 

Optica. 2021-03-20. Vol. 8, num. 3, p. 402-408. DOI : 10.1364/OPTICA.415343.

Molecular Origin of the Asymmetric Photoluminescence Spectra of CsPbBr3 at Low Temperature

A. Boziki; M. I. Dar; G. Jacopin; M. Gratzel; U. Rothlisberger 

Journal Of Physical Chemistry Letters. 2021-03-18. Vol. 12, num. 10, p. 2699-2704. DOI : 10.1021/acs.jpclett.1c00263.

Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics

T. Begušić; J. Vaníček 

The Journal of Physical Chemistry Letters. 2021-03-18. Vol. 12, num. 11, p. 2997-3005. DOI : 10.1021/acs.jpclett.1c00123.

Hidden bulk and surface effects in the spin polarization of the nodal-line semimetal ZrSiTe

G. Gatti; D. Gosalbez-Martinez; S. Roth; M. Fanciulli; M. Zacchigna et al. 

Communications Physics. 2021-03-17. Vol. 4, num. 1, p. 54. DOI : 10.1038/s42005-021-00555-x.

A membrane-less electrolyzer with porous walls for high throughput and pure hydrogen production dagger

P. Hadikhani; S. M. H. Hashemi; S. A. Schenk; D. Psaltis 

Sustainable Energy & Fuels. 2021-03-15. DOI : 10.1039/d1se00255d.

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen dagger

Y. Xiong; Q. T. Campbell; J. Fanghanel; C. K. Badding; H. Wang et al. 

Energy & Environmental Science. 2021-03-11. DOI : 10.1039/d0ee02984j.

Classical Spin Liquid or Extended Critical Range in h-YMnO3?

S. Janas; J. Lass; A-E. Tutueanu; M. L. Haubro; C. Niedermayer et al. 

Physical Review Letters. 2021-03-11. Vol. 126, num. 10, p. 107203. DOI : 10.1103/PhysRevLett.126.107203.

Hydrogen production on demand by redox-mediated electrocatalysis: A kinetic study

D. Reynard; G. Bolik-Coulon; S. Maye; H. H. Girault 

Chemical Engineering Journal. 2021-03-01. Vol. 407, p. 126721. DOI : 10.1016/j.cej.2020.126721.

Hyaluronan orders water molecules in its nanoscale extended hydration shells

J. Dedic; H. Okur; S. Roke 

Science Advances. 2021-03-01. Vol. 7, num. 10, p. eabf2558. DOI : 10.1126/sciadv.abf2558.

Fundamental Properties and Classification of Polarization Converting Bianisotropic Metasurfaces

K. Achouri; O. J. F. Martin 

IEEE Transactions on Antennas and Propagation. 2021-02-26.  p. 1-1. DOI : 10.1109/TAP.2021.3060901.

Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction

C. Mariette; M. Lorenc; H. Cailleau; E. Collet; L. Guerin et al. 

Nature Communications. 2021-02-23. Vol. 12, num. 1, p. 1239. DOI : 10.1038/s41467-021-21316-y.

Controlling the immobilization process of an optically enhanced protein microarray for highly reproducible immunoassay

D. Zhang; W. Dai; H. Hu; W. Chen; Y. Liu et al. 

Nanoscale. 2021-02-21. Vol. 13, num. 7, p. 4269-4277. DOI : 10.1039/d0nr08407g.

Ultrafast Momentum-Resolved Free-Electron Probing of Optically Pumped Plasmon Thermal Dynamics

V. Mkhitaryan; E. J. C. Dias; F. Carbone; F. J. Garcia de Abajo 

Acs Photonics. 2021-02-17. Vol. 8, num. 2, p. 614-624. DOI : 10.1021/acsphotonics.0c01758.

Hot carrier-mediated avalanche multiphoton photoluminescence from coupled Au–Al nanoantennas

J. Wang; A-L. Baudrion; J. Béal; A. Horneber; F. Tang et al. 

The Journal of Chemical Physics. 2021-02-16. Vol. 154, num. 7, p. 074701. DOI : 10.1063/5.0032611.

Structure-Property Relationships in Bithiophenes with Hydrogen-Bonded Substituents

B. Ozen; F. F. Tirani; K. Schenk; K-H. Lin; R. Scopelliti et al. 

Chemistry-A European Journal. 2021-02-15. Vol. 27, num. 10, p. 3348-3360. DOI : 10.1002/chem.202003113.

Smooth GaN membranes by polarization-assisted electrochemical etching

J. Ciers; M. A. Bergmann; F. Hjort; Carlin; N. Grandjean et al. 

Applied Physics Letters. 2021-02-08. Vol. 118, num. 6, p. 062107. DOI : 10.1063/5.0034898.

Dark-level trapping, lateral confinement, and built-in electric field contributions to the carrier dynamics in c-plane GaN/AlN quantum dots emitting in the UV range

M. Hrytsaienko; M. Gallart; M. Ziegler; O. Cregut; S. Tamariz et al. 

Journal Of Applied Physics. 2021-02-07. Vol. 129, num. 5, p. 054301. DOI : 10.1063/5.0038733.

Inverse design of diffractive optical elements using step-transition perturbation approach

D. C. Kim; A. Hermerschmidt; P. Dyachenko; T. Scharf 

Advanced Optical Technologies. 2021-02-01. Vol. 10, num. 1, p. 39-47. DOI : 10.1515/aot-2020-0046.

Electrical transport properties of Ru1-xTixO2 films deposited by magnetron sputtering technique

R. Sanjines; C. S. Sandu 

Solid State Communications. 2021-02-01. Vol. 324, p. 114129. DOI : 10.1016/j.ssc.2020.114129.

3D reconstruction of weakly scattering objects from 2D intensity-only measurements using the Wolf transform

A. B. Ayoub; J. Lim; E. E. Antoine; D. Psaltis 

Optics Express. 2021-02-01. Vol. 29, num. 3, p. 3976-3984. DOI : 10.1364/OE.414543.

Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations

I. Timrov; N. Marzari; M. Cococcioni 

Physical Review B. 2021-01-29. Vol. 103, num. 4, p. 045141. DOI : 10.1103/PhysRevB.103.045141.

Triplons, magnons, and spinons in a single quantum spin system: SeCuO3

L. Testa; V. Surija; K. Prsa; P. Steffens; M. Boehm et al. 

Physical Review B. 2021-01-25. Vol. 103, num. 2, p. L020409. DOI : 10.1103/PhysRevB.103.L020409.

Gαi1 inhibition mechanism of ATP-bound adenylyl cyclase type 5

D. Narzi; S. C. van Keulen; U. Röthlisberger 

PLOS ONE. 2021-01-25. Vol. 16, num. 1, p. e0245197. DOI : 10.1371/journal.pone.0245197.

Dynamical properties of a driven dissipative dimerized S=1/2 chain

M. Yarmohammadi; C. Meyer; B. Fauseweh; B. Normand; G. S. Uhrig 

Physical Review B. 2021-01-22. Vol. 103, num. 4, p. 045132. DOI : 10.1103/PhysRevB.103.045132.

Evolution and ion kinetics of a XUV-induced nanoplasma in ammonia clusters

R. Michiels; A. C. LaForge; M. Bohlen; C. Callegari; A. Clark et al. 

Journal of Physics B: Atomic, Molecular and Optical Physics. 2021-01-20. Vol. 54, num. 2, p. 024002. DOI : 10.1088/1361-6455/abcf80.

Lanthanide-Bisphosphonate Coordination Chemistry: Biocompatible Fluorescent Labeling Strategy for Hydrogel

Y. Zeng; L. Sun; D. Du; X. He; L. Shi 

Acs Applied Bio Materials. 2021-01-18. Vol. 4, num. 1, p. 1057-1064. DOI : 10.1021/acsabm.0c01602.

Shannon entropy and degree of polarization of a speckle pattern

A. Roy 

Optics Letters. 2021-01-15. Vol. 46, num. 2, p. 202-205. DOI : 10.1364/OL.415381.

Size of National Assemblies: The Classic Derivation of the Cube-Root Law is Conceptually Flawed

G. Margaritondo 

Frontiers In Physics. 2021-01-15. Vol. 8, p. 614596. DOI : 10.3389/fphy.2020.614596.

Successive training of a generative adversarial network for the design of an optical cloak

A-P. Blanchard-Dionne; O. J. F. Martin 

Osa Continuum. 2021-01-15. Vol. 4, num. 1, p. 87-95. DOI : 10.1364/OSAC.413394.

Defect incorporation in In-containing layers and quantum wells: experimental analysis via deep level profiling and optical spectroscopy

F. Piva; C. De Santi; A. Caria; C. Haller; J. F. Carlin et al. 

Journal Of Physics D-Applied Physics. 2021-01-14. Vol. 54, num. 2, p. 025108. DOI : 10.1088/1361-6463/abb727.

Handy water: Chiral superstructures around peptide beta-sheets

S. Pullanchery; S. Roke 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2021-01-12. Vol. 118, num. 2, p. e2024376118. DOI : 10.1073/pnas.2024376118.

Profiling novel high-conductivity 2D semiconductors

T. Sohier; M. Gibertini; N. Marzari 

2D Materials. 2021-01-01. Vol. 8, num. 1, p. 015025. DOI : 10.1088/2053-1583/abc5d0.

Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride

F. Libbi; N. Bonini; N. Marzari 

2D Materials. 2021-01-01. Vol. 8, num. 1, p. 015026. DOI : 10.1088/2053-1583/abc5ce.

Fluorescence-Based and Fluorescent Label-Free Characterization of Polymer Nanoparticle Decorated T Cells

T. Thomsen; A. B. Ayoub; D. Psaltis; H-A. Klok 

Biomacromolecules. 2021-01-01. Vol. 22, num. 1, p. 190-200. DOI : 10.1021/acs.biomac.0c00969.

2020

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

I. Timrov; F. Aquilante; L. Binci; M. Cococcioni; N. Marzari 

Physical Review B. 2020-12-28. Vol. 102, num. 23, p. 235159. DOI : 10.1103/PhysRevB.102.235159.

Nanodiamond Relaxometry-Based Detection of Free-Radical Species When Produced in Chemical Reactions in Biologically Relevant Conditions

F. P. Martinez; A. C. Nusantara; M. Chipaux; S. K. Padamati; R. Schirhagl 

Acs Sensors. 2020-12-24. Vol. 5, num. 12, p. 3862-3869. DOI : 10.1021/acssensors.0c01037.

Nonreciprocity in Bianisotropic Systems with Uniform Time Modulation

X. Wang; G. Ptitcyn; V. S. Asadchy; A. Diaz-Rubio; M. S. Mirmoosa et al. 

Physical Review Letters. 2020-12-22. Vol. 125, num. 26, p. 266102. DOI : 10.1103/PhysRevLett.125.266102.

Interplay of anomalous strain relaxation and minimization of polarization changes at nitride semiconductor heterointerfaces

Y. Wang; M. Schnedler; Q. Lan; F. Zheng; L. Freter et al. 

Physical Review B. 2020-12-21. Vol. 102, num. 24, p. 245304. DOI : 10.1103/PhysRevB.102.245304.

3D Silver Dendrites for Single-molecule Imaging by Surface-enhanced Raman Spectroscopy

H. V. Bandarenka; N. V. Khinevich; A. A. Burko; S. V. Redko; S. A. Zavatski et al. 

Chemnanomat. 2020-12-16. DOI : 10.1002/cnma.202000521.

Long-range magnetic ordering in Li2MnGeO4 and precursor short-range spin correlations

A. N. Korshunov; A. Kurbakov; I. A. Safiulina; A. E. Susloparova; V. Y. Pomjakushin et al. 

Physical Review B. 2020-12-15. Vol. 102, num. 21, p. 214420. DOI : 10.1103/PhysRevB.102.214420.

Staggered flux state for rectangular-lattice spin-1/2 Heisenberg antiferromagnets

N. E. Shaik; B. Dalla Piazza; D. A. Ivanov; H. M. Ronnow 

Physical Review B. 2020-12-14. Vol. 102, num. 21, p. 214413. DOI : 10.1103/PhysRevB.102.214413.

Charge transfer enhanced magnetic correlations in type-II multiferroic Co3TeO6

C-H. Lee; E. Batsaikhan; M-H. Ma; W-H. Li; C-W. Wang et al. 

Journal Of The Chinese Chemical Society. 2020-12-10. DOI : 10.1002/jccs.202000472.

Deep traps in InGaN/GaN single quantum well structures grown with and without InGaN underlayers

A. Y. Polyakov; C. Haller; R. Butte; N. B. Smirnov; L. A. Alexanyan et al. 

Journal Of Alloys And Compounds. 2020-12-10. Vol. 845, p. 156269. DOI : 10.1016/j.jallcom.2020.156269.

Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl

N. A. Gadjieva; P. Szirmai; O. Sagi; P. Alemany; A. K. Bartholomew et al. 

Journal Of The American Chemical Society. 2020-12-09. Vol. 142, num. 49, p. 20624-20630. DOI : 10.1021/jacs.0c05606.

Theory and Computation of Hall Scattering Factor in Graphene

F. Macheda; S. Ponce; F. Giustino; N. Bonini 

Nano Letters. 2020-12-09. Vol. 20, num. 12, p. 8861-8865. DOI : 10.1021/acs.nanolett.0c03874.

Hybrid Metal-Dielectric Metasurfaces for Refractive Index Sensing

D. Ray; T. Raziman; C. Santschi; D. Etezadi; H. Altug et al. 

Nano Letters. 2020-12-09. Vol. 20, num. 12, p. 8752-8759. DOI : 10.1021/acs.nanolett.0c03613.

Kilogram-Scale Crystallogenesis of Halide Perovskites for Gamma-Rays Dose Rate Measurements

P. Andricevic; P. Frajtag; V. P. Lamirand; A. Pautz; M. Kollar et al. 

Advanced Science. 2020-12-09.  p. 2001882. DOI : 10.1002/advs.202001882.

Atomic-Resolution Imaging of Fast Nanoscale Dynamics with Bright Microsecond Electron Pulses

P. K. Olshin; G. Bongiovanni; M. Drabbels; U. Lorenz 

Nano Letters. 2020-12-03. Vol. 20, num. 13 (in progress). DOI : 10.1021/acs.nanolett.0c04184.

Inference in artificial intelligence with deep optics and photonics

G. Wetzstein; A. Ozcan; S. Gigan; S. Fan; D. Englund et al. 

Nature. 2020-12-03. Vol. 588, num. 7836, p. 39-47. DOI : 10.1038/s41586-020-2973-6.

Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?

S. Choi; J. Vanicek 

The Journal of Chemical Physics. 2020-12-02. Vol. 153, num. 21, p. 211101. DOI : 10.1063/5.0033410.

Design of auxiliary systems for spectroscopy

M. Vanzini; F. Sottile; I. Reshetnyak; S. Ciuchi; L. Reining et al. 

Faraday Discussions. 2020-12-01. Vol. 224, p. 424-447. DOI : 10.1039/d0fd00067a.

Full field dependence of primary aberrations in perturbed double-plane symmetric systems with a circular pupil

A. Grosso; T. Scharf 

Journal Of The Optical Society Of America A-Optics Image Science And Vision. 2020-12-01. Vol. 37, num. 12, p. 1999-2013. DOI : 10.1364/JOSAA.404953.

Bell correlations between light and vibration at ambient conditions

S. T. Velez; V. Sudhir; N. Sangouard; C. Galland 

Science Advances. 2020-12-01. Vol. 6, num. 51, p. eabb0260. DOI : 10.1126/sciadv.abb0260.

Resonant inelastic x-ray scattering study of Ca3Ru2O7

K. von Arx; F. Forte; M. Horio; V. Granata; Q. Wang et al. 

Physical Review B. 2020-12-01. Vol. 102, num. 23, p. 235104. DOI : 10.1103/PhysRevB.102.235104.

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

S. Vela; A. Scheidegger; R. Fabregat; C. Corminboeuf 

Chemistry-A European Journal. 2020-11-26. DOI : 10.1002/chem.202003926.

Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells

T-S. Su; F. T. Eickemeyer; M. A. Hope; F. Jahanbakhshi; M. Mladenovic et al. 

Journal Of The American Chemical Society. 2020-11-25. Vol. 142, num. 47, p. 19980-19991. DOI : 10.1021/jacs.0c08592.

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

D. Ongari; L. Talirz; B. Smit 

Acs Central Science. 2020-11-25. Vol. 6, num. 11, p. 1890-1900. DOI : 10.1021/acscentsci.0c00988.

Quantum spin-liquid states in an organic magnetic layer and molecular rotor hybrid

P. Szirmai; C. Meziere; G. Bastien; P. Wzietek; P. Batail et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2020-11-24. Vol. 117, num. 47, p. 29555-29560. DOI : 10.1073/pnas.2000188117.

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

S. Janas; M. B. Sorensen; A. B. A. Andersen; M. Juelsholt; M. Boehm et al. 

Physical Chemistry Chemical Physics. 2020-11-21. Vol. 22, num. 43, p. 25001-25010. DOI : 10.1039/d0cp04978f.

Metastable and localized Ising magnetism in alpha-CoV2O6 magnetization plateaus

L. Edwards; H. Lane; F. Wallington; A. M. Arevalo-Lopez; M. Songvilay et al. 

Physical Review B. 2020-11-20. Vol. 102, num. 19, p. 195136. DOI : 10.1103/PhysRevB.102.195136.

Radial Spin Texture of the Weyl Fermions in Chiral Tellurium

G. Gatti; D. Gosalbez-Martinez; S. S. Tsirkin; M. Fanciulli; M. Puppin et al. 

Physical Review Letters. 2020-11-19. Vol. 125, num. 21, p. 216402. DOI : 10.1103/PhysRevLett.125.216402.

Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy

J. S. Zhou; L. Reining; A. Nicolaou; A. Bendounan; K. Ruotsalainen et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2020-11-17. Vol. 117, num. 46, p. 28596-28602. DOI : 10.1073/pnas.2012625117.

Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows

M. Uhrin; S. P. Huber; J. Yu; N. Marzari; G. Pizzi 

Computational Materials Science. 2020-11-16. Vol. 187, p. 110086. DOI : 10.1016/j.commatsci.2020.110086.

Reviews

2021

Electronic-structure methods for materials design

N. Marzari; A. Ferretti; C. Wolverton 

Nature Materials. 2021-06-01. Vol. 20, num. 6, p. 736-749. DOI : 10.1038/s41563-021-01013-3.

Expanding the boundaries of ligand-target modeling by exascale calculations

V. Bolnykh; G. Rossetti; U. Rothlisberger; P. Carloni 

Wiley Interdisciplinary Reviews-Computational Molecular Science. 2021-04-10.  p. e1535. DOI : 10.1002/wcms.1535.

Organic Spacers in 2D Perovskites: General Trends and Structure-Property Relationships from Computational Studies

F. Jahanbakhshi; M. Mladenovic; M. Dankl; A. Boziki; P. Ahlawat et al. 

Helvetica Chimica Acta. 2021-04-07. Vol. 104, num. 4. DOI : 10.1002/hlca.202000232.

Catalytic layer – membrane electrode assembly methods for optimum formation of triple phase boundaries and fuel cell performances

I. Fouzaï; S. Gentil; V. Costa Bassetto; W. Oliveira Da Silva; M. Raddaoui et al. 

Journal of Materials Chemistry A. 2021-03-23. Vol. 9, num. 18, p. 11096-11123. DOI : 10.1039/D0TA07470E.

Strong plasmon-exciton coupling in transition metal dichalcogenides and plasmonic nanostructures

J. Sun; Y. Li; H. Hu; W. Chen; D. Zheng et al. 

Nanoscale. 2021-02-28. Vol. 13, num. 8, p. 4408-4419. DOI : 10.1039/d0nr08592h.

2020

Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

S. Muy; R. Schlem; Y. Shao-Horn; W. G. Zeier 

Advanced Energy Materials. 2020-12-31.  p. 2002787. DOI : 10.1002/aenm.202002787.

Spatio-temporal shaping of a free-electron wave function via coherent light-electron interaction

G. M. Vanacore; I. Madan; F. Carbone 

Rivista Del Nuovo Cimento. 2020-12-24. DOI : 10.1007/s40766-020-00012-5.