100 latest LACUS publications

Journal Articles

2021

Effects of quantum-well indium content on deep defects and reliability of InGaN/GaN light-emitting diodes with under layer

N. Roccato; F. Piva; C. De Santi; M. Buffolo; C. Haller et al. 

Journal Of Physics D-Applied Physics. 2021-12-16. Vol. 54, num. 50, p. 505108. DOI : 10.1088/1361-6463/ac2693.

Unvailing the spin-phonon coupling in nanocrystalline BiFeO3 by resonant two-phonon Raman active modes

B. Stojadinovic; D. M. Djokic; N. Paunovic; I. Zivkovic; L. Ciric et al. 

Materials Science And Engineering B-Advanced Functional Solid-State Materials. 2021-12-01. Vol. 274, p. 115444. DOI : 10.1016/j.mseb.2021.115444.

Fabrication of plasmonic structures with well-controlled nanometric features: a comparison between lift-off and ion beam etching

B. Abasahl; C. Santschi; T. Raziman; O. J. F. Martin 

Nanotechnology. 2021-11-19. Vol. 32, num. 47, p. 475202. DOI : 10.1088/1361-6528/ac1a93.

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation

J. Roulet; J. Vanicek 

The Journal of Chemical Physics . 2021-11-11. 

Extension of Lorentz reciprocity and Poynting theorems for spatially dispersive media with quadrupolar responses

K. Achouri; O. J. F. Martin 

Physical Review B. 2021-10-28. Vol. 104, num. 16, p. 165426. DOI : 10.1103/PhysRevB.104.165426.

Modeling the electrical characteristics of InGaN/GaN LED structures based on experimentally-measured defect characteristics

N. Roccato; F. Piva; C. De Santi; R. Brescancin; K. Mukherjee et al. 

Journal Of Physics D-Applied Physics. 2021-10-21. Vol. 54, num. 42, p. 425105. DOI : 10.1088/1361-6463/ac16fd.

Direct (3+1)D laser writing of graded-index optical elements

X. Porte; N. U. Dinc; J. Moughames; G. Panusa; C. Juliano et al. 

Optica. 2021-10-20. Vol. 8, num. 10, p. 1281-1287. DOI : 10.1364/OPTICA.433475.

Origin of large magnetoresistance in the topological nonsymmorphic semimetal TaSe3

G. Gatti; D. Gosalbez-Martinez; Q. S. Wu; J. Hu; S. N. Zhang et al. 

Physical Review B. 2021-10-13. Vol. 104, num. 15, p. 155122. DOI : 10.1103/PhysRevB.104.155122.

Virtual Computational Chemistry Teaching Laboratories-Hands-On at a Distance

R. Kobayashi; T. P. M. Goumans; N. O. Carstensen; T. M. Soini; N. Marzari et al. 

Journal Of Chemical Education. 2021-10-12. Vol. 98, num. 10, p. 3163-3171. DOI : 10.1021/acs.jchemed.1c00655.

Few pulses femtosecond laser exposure for high efficiency 3D glass micromachining

E. Casamenti; S. Pollonghini; Y. Bellouard 

Optics Express. 2021-10-12. Vol. 29, num. 22, p. 35054-35066. DOI : 10.1364/OE.435163.

First-principles predictions of Hall and drift mobilities in semiconductors

S. Ponce; F. Macheda; E. R. Margine; N. Marzari; N. Bonini et al. 

Physical Review Research. 2021-10-08. Vol. 3, num. 4, p. 043022. DOI : 10.1103/PhysRevResearch.3.043022.

Magnetic Field Induced Quantum Spin Liquid in the Two Coupled Trillium Lattices of K2Ni2(SO4)(3)

I. Zivkovic; V. Favre; C. S. Mejia; H. O. Jeschke; A. Magrez et al. 

Physical Review Letters. 2021-10-06. Vol. 127, num. 15, p. 157204. DOI : 10.1103/PhysRevLett.127.157204.

Magnetic structure of the topological semimetal YbMnSb2

J-R. Soh; S. M. Tobin; H. Su; I. Zivkovic; B. Ouladdiaf et al. 

Physical Review B. 2021-10-05. Vol. 104, num. 16, p. L161103. DOI : 10.1103/PhysRevB.104.L161103.

Importance of intersite Hubbard interactions in beta-MnO2: A first-principles DFT plus U plus V study

R. Mahajan; I. Timrov; N. Marzari; A. Kashyap 

Physical Review Materials. 2021-10-04. Vol. 5, num. 10, p. 104402. DOI : 10.1103/PhysRevMaterials.5.104402.

Voltammetry in Two-Electrode Mode for Rapid Electrochemical Screening Using a Fully Printed and Flexible Multiplexer Sensor

B. Nagar; W. O. Silva; H. H. Girault 

Chemelectrochem. 2021-10-01. Vol. 8, num. 19, p. 3700-3706. DOI : 10.1002/celc.202100477.

Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI(3) single-crystal and polycrystalline perovskites

C. Q. Xia; S. Ponce; J. Peng; A. M. Ulatowski; J. B. Patel et al. 

Journal Of Physics-Materials. 2021-10-01. Vol. 4, num. 4, p. 044017. DOI : 10.1088/2515-7639/ac22b9.

Frequency dependence in GW made simple using a multipole approximation

D. A. Leon; C. Cardoso; T. Chiarotti; D. Varsano; E. Molinari et al. 

Physical Review B. 2021-09-27. Vol. 104, num. 11, p. 115157. DOI : 10.1103/PhysRevB.104.115157.

Data Management Plans: the Importance of Data Management in the BIG-MAP Project[**]

I. E. Castelli; D. J. Arismendi-Arrieta; A. Bhowmik; I. Cekic-Laskovic; S. Clark et al. 

Batteries & Supercaps. 2021-09-24. DOI : 10.1002/batt.202100117.

High-order geometric integrators for representation-free Ehrenfest dynamics

S. Choi; J. Vanicek 

The Journal of Chemical Physics. 2021-09-23. Vol. 155, num. 12, p. 124104. DOI : 10.1063/5.0061878.

Tunable cooperativity in coupled spin-cavity systems

L. Liensberger; F. X. Haslbeck; A. Bauer; H. Berger; R. Gross et al. 

Physical Review B. 2021-09-22. Vol. 104, num. 10, p. L100415. DOI : 10.1103/PhysRevB.104.L100415.

Combined hydrogen production and electricity storage using a vanadium-manganese redox dual-flow battery

D. Reynard; H. Girault 

Cell Reports Physical Science. 2021-09-22. Vol. 2, num. 9, p. 100556. DOI : 10.1016/j.xcrp.2021.100556.

Gate Control of Spin-Layer-Locking FETs and Application to Monolayer LuIO

R. Zhang; A. Marrazzo; M. J. Verstraete; N. Marzari; T. D. P. Sohier 

Nano Letters. 2021-09-22. Vol. 21, num. 18, p. 7631-7636. DOI : 10.1021/acs.nanolett.1c02322.

High speed, complex wavefront shaping using the digital micro-mirror device

A. B. Ayoub; D. Psaltis 

Scientific Reports. 2021-09-22. Vol. 11, num. 1, p. 18837. DOI : 10.1038/s41598-021-98430-w.

An electron walks into a quantum bar…

F. Carbone 

Science. 2021-09-17. Vol. 373, num. 6561, p. 1309-1310. DOI : 10.1126/science.abl6366.

Ab Initio Electron-Phonon Interactions in Correlated Electron Systems

J-J. Zhou; J. Park; I. Timrov; A. Floris; M. Cococcioni et al. 

Physical Review Letters. 2021-09-16. Vol. 127, num. 12, p. 126404. DOI : 10.1103/PhysRevLett.127.126404.

Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics

A. Krishna; H. Zhang; Z. Zhou; T. Gallet; M. Dankl et al. 

Energy & Environmental Science. 2021-09-16. Vol. 14, p. 5552-5562. DOI : 10.1039/d1ee02454j.

Core-Valence Attosecond Transient Absorption Spectroscopy of Polyatomic Molecules

N. V. Golubev; J. Vaníček; A. I. Kuleff 

Physical Review Letters. 2021-09-16. Vol. 127, num. 12, p. 123001. DOI : 10.1103/PhysRevLett.127.123001.

Control of a polar order via magnetic field in a vector-chiral magnet

M. Dragicevic; D. R. Gongora; Z. Rapljenovic; M. Herak; V. Brusar et al. 

Physical Review B. 2021-09-15. Vol. 104, num. 12, p. L121107. DOI : 10.1103/PhysRevB.104.L121107.

Coherent energy exchange between carriers and phonons in Peierls-distorted bismuth unveiled by broadband XUV pulses

R. Geneaux; I. Timrov; C. J. Kaplan; A. D. Ross; P. M. Kraus et al. 

Physical Review Research. 2021-09-02. Vol. 3, num. 3, p. 033210. DOI : 10.1103/PhysRevResearch.3.033210.

High-resolution fast-tomography brain-imaging beamline at the Taiwan Photon Source

H. H. Chen; S-M. Yang; K-E. Yang; C-Y. Chiu; C-J. Chang et al. 

Journal Of Synchrotron Radiation. 2021-09-01. Vol. 28, p. 1662-1668. DOI : 10.1107/S1600577521007633.

Topological magnon insulators in two-dimensional van der Waals ferromagnets CrSiTe3 and CrGeTe3: Toward intrinsic gap-tunability

F. Zhu; L. Zhang; X. Wang; F. J. dos Santos; J. Song et al. 

Science Advances. 2021-09-01. Vol. 7, num. 37, p. eabi7532. DOI : 10.1126/sciadv.abi7532.

Correlation-Driven Transient Hole Dynamics Resolved in Space and Time in the Isopropanol Molecule

T. Barillot; O. Alexander; B. Cooper; T. Driver; D. Garratt et al. 

Physical Review X. 2021-09-01. Vol. 11, num. 3, p. 031048. DOI : 10.1103/PhysRevX.11.031048.

Highly motile nanoscale magnetic artificial cilia

T. u. Islam; Y. Bellouard; J. M. J. den Toonder 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2021-08-25. Vol. 118, num. 35, p. e2104930118. DOI : 10.1073/pnas.2104930118.

Second harmonic generation in glass-based metasurfaces using tailored surface lattice resonances

T. Das Gupta; J. Butet; K-Y. Yang; A. Leber; C. Dong et al. 

Nanophotonics. 2021-08-24. DOI : 10.1515/nanoph-2021-0277.

Bespoke open databases: cheaper and easier to analyse

N. Obwegeser; H. M. Ronnow; T. Yokoi 

Nature. 2021-08-19. Vol. 596, num. 7872, p. 343-343. DOI : 10.1038/d41586-021-02234-x.

OPTIMADE, an API for exchanging materials data

C. W. Andersen; R. Armiento; E. Blokhin; G. J. Conduit; S. Dwaraknath et al. 

Scientific Data. 2021-08-12. Vol. 8, num. 1, p. 217. DOI : 10.1038/s41597-021-00974-z.

Naphthalenediimide/Formamidinium-Based Low-Dimensional Perovskites

A. Mishra; P. Ahlawat; G. C. Fish; F. Jahanbakhshi; M. Mladenovic et al. 

Chemistry of Materials. 2021-08-11. Vol. 33, num. 16, p. 6412-6420. DOI : 10.1021/acs.chemmater.1c01635.

Proximity-Induced Novel Ferromagnetism Accompanied with Resolute Metallicity in NdNiO3 Heterostructure

M. Caputo; Z. Ristic; R. S. Dhaka; T. Das; Z. Wang et al. 

Advanced Science. 2021-08-11.  p. 2101516. DOI : 10.1002/advs.202101516.

The fragmentation mechanism of gold nanoparticles in water under femtosecond laser irradiation

G. Bongiovanni; P. K. Olshin; C. Yan; J. M. Voss; M. Drabbels et al. 

Royal society of Chemistry. 2021-08-02. DOI : 10.1039/d1na00406a.

Holographic Convergent Electron Beam Diffraction (Cbed) Imaging Of Two-Dimensional Crystals

T. Latychevskaia; S. J. Haigh; K. S. Novoselov 

Surface Review And Letters. 2021-08-01. Vol. 28, num. 08, p. 2140001. DOI : 10.1142/S0218625X21400011.

Structured light engineering using a photonic nanojet

M. Yousefi; D. Necesal; T. Scharf; M. Rossi 

Optics Letters. 2021-08-01. Vol. 46, num. 15, p. 3661-3664. DOI : 10.1364/OL.425121.

Porous silicon-A versatile platform for mass-production of ultrasensitive SERS-active substrates

N. Khinevich; H. Bandarenka; S. Zavatski; K. Girel; A. Tamuleviciene et al. 

Microporous And Mesoporous Materials. 2021-08-01. Vol. 323, p. 111204. DOI : 10.1016/j.micromeso.2021.111204.

Importance of Long-Range Channel Sr Displacements for the Narrow Emission in Sr[Li2Al2O2N2]:Eu2+ Phosphor

J. Bouquiaux; S. Ponce; Y. Jia; A. Miglio; M. Mikami et al. 

Advanced Optical Materials. 2021-07-28.  p. 2100649. DOI : 10.1002/adom.202100649.

Stepwise Reduction of Dinitrogen by a Uranium-Potassium Complex Yielding a U(VI)/U(IV) Tetranitride Cluster

N. Jori; L. Barluzzi; I. Douair; L. Maron; F. Fadaei-Tirani et al. 

Journal Of The American Chemical Society. 2021-07-28. Vol. 143, num. 29, p. 11225-11234. DOI : 10.1021/jacs.1c05389.

Narrowband Optical Coupler Using Fano Interference in First Order Diffraction

G. Quaranta; F. Lutolf; O. J. F. Martin; B. Gallinet 

Acs Photonics. 2021-07-21. Vol. 8, num. 7, p. 2017-2026. DOI : 10.1021/acsphotonics.1c00072.

Broadband visible two-dimensional spectroscopy of molecular dyes

L. Mewes; R. A. Ingle; A. Al Haddad; M. Chergui 

Journal Of Chemical Physics. 2021-07-21. Vol. 155, num. 3, p. 034201. DOI : 10.1063/5.0053554.

Multipolar scattering analysis of hybrid metal-dielectric nanostructures

D. Ray; A. Kiselev; O. J. F. Martin 

Optics Express. 2021-07-19. Vol. 29, num. 15, p. 24056-24067. DOI : 10.1364/OE.427911.

Two-dimensional correlation analysis for x-ray photoelectron spectroscopy

S. Li; T. Driver; A. Al Haddad; E. G. Champenois; M. Agaker et al. 

Journal Of Physics B-Atomic Molecular And Optical Physics. 2021-07-14. Vol. 54, num. 14, p. 144005. DOI : 10.1088/1361-6455/abcdf1.

Oligothiophene Phosphonic Acids for Self-Assembled Monolayer Field-Effect Transistors

B. Zhao; B. Gothe; A. Groh; T. Schmaltz; J. Will et al. 

Acs Applied Materials & Interfaces. 2021-07-14. Vol. 13, num. 27, p. 32461-32466. DOI : 10.1021/acsami.1c05764.

Vital role of magnetocrystalline anisotropy in cubic chiral skyrmion hosts

M. Preissinger; K. Karube; D. Ehlers; B. Szigeti; H. -A. Krug von Nidda et al. 

Npj Quantum Materials. 2021-07-07. Vol. 6, num. 1, p. 65. DOI : 10.1038/s41535-021-00365-y.

From hidden order to antiferromagnetism: Electronic structure changes in Fe-doped URu2Si2

E. Frantzeskakis; J. Dai; C. Bareille; T. C. Roedel; M. Guettler et al. 

Proceedings Of The National Academy Of Sciences Of The United States Of America. 2021-07-06. Vol. 118, num. 27, p. e2020750118. DOI : 10.1073/pnas.2020750118|1of6.

The Role of Conserved Residues in the DEDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H

S. L. Duerr; O. Bohuszewicz; D. Berta; R. Suardiaz; P. G. Jambrina et al. 

Acs Catalysis. 2021-07-02. Vol. 11, num. 13, p. 7915-7927. DOI : 10.1021/acscatal.1c01493.

Spectroscopic view of ultrafast charge carrier dynamics in single- and bilayer transition metal dichalcogenide semiconductors

P. Majchrzak; K. Volckaert; A. G. Dabo; D. Biswas; M. Bianchi et al. 

Journal Of Electron Spectroscopy And Related Phenomena. 2021-07-01. Vol. 250, p. 147093. DOI : 10.1016/j.elspec.2021.147093.

Photoinduced long-lived state in FeSe0.4Te0.6

L. Fanfarillo; D. Kopic; A. Sterzi; G. Manzoni; A. Crepaldi et al. 

Journal Of Electron Spectroscopy And Related Phenomena. 2021-07-01. Vol. 250, p. 147090. DOI : 10.1016/j.elspec.2021.147090.

Quantifying Photoinduced Polaronic Distortions in Inorganic Lead Halide Perovskite Nanocrystals

O. Cannelli; N. Colonna; M. Puppin; T. C. Rossi; D. Kinschel et al. 

Journal Of The American Chemical Society. 2021-06-23. Vol. 143, num. 24, p. 9048-9059. DOI : 10.1021/jacs.1c02403.

3D metal freeform micromanufacturing

L. Borasi; E. Casamenti; R. Charvet; C. Dénéréaz; S. Pollonghini et al. 

Journal of Manufacturing Processes. 2021-06-23. Vol. 68, p. 867-876. DOI : 10.1016/j.jmapro.2021.06.002.

Polysiloxanes Modified with Different Types and Contents of Polar Groups: Synthesis, Structure, and Thermal and Dielectric Properties

Y. Sheima; Y. Yuts; H. Frauenrath; D. M. Opris 

Macromolecules. 2021-06-22. Vol. 54, num. 12, p. 5737-5749. DOI : 10.1021/acs.macromol.1c00362.

Structural Order of the Molecular Adlayer Impacts the Stability of Nanoparticle-on-Mirror Plasmonic Cavities

A. Ahmed; K. Banjac; S. S. Verlekar; F. P. Cometto; M. Lingenfelder et al. 

Acs Photonics. 2021-06-16. Vol. 8, num. 6, p. 1863-1872. DOI : 10.1021/acsphotonics.1c00645.

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 

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

Iron phosphate mediated magnetite synthesis: a bioinspired approach

G. Mirabello; M. GoodSmith; P. H. H. Bomans; L. Stegbauer; D. Joester et al. 

Chemical Science. 2021-06-10. DOI : 10.1039/d0sc07079c.

Ultrafast-nonlinear ultraviolet pulse modulation in an AlInGaN polariton waveguide operating up to room temperature

D. M. Di Paola; P. M. Walker; R. P. A. Emmanuele; A. V. Yulin; J. Ciers et al. 

Nature Communications. 2021-06-09. Vol. 12, num. 1, p. 3504. DOI : 10.1038/s41467-021-23635-6.

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.

Phase transition in an organic ferroelectric: glycinium phosphite, with and without X-ray radiation damage

N. E. Bogdanov; B. A. Zakharov; D. Chernyshov; P. Pattison; E. Boldyreva 

Acta Crystallographica Section B-Structural Science Crystal Engineering And Materials. 2021-06-01. Vol. 77, p. 365-370. DOI : 10.1107/S2052520621003127.

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.

Reusability report: Predicting spatiotemporal nonlinear dynamics in multimode fibre optics with a recurrent neural network

U. Tegin; N. U. Dinc; C. Moser; D. Psaltis 

Nature Machine Intelligence. 2021-05-13. Vol. 3, num. 5, p. 387-391. DOI : 10.1038/s42256-021-00347-6.

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.

Femtosecond X-ray spectroscopy of haem proteins

C. Bacellar; D. Kinschel; O. Cannelli; B. Sorokin; T. Katayama et al. 

Faraday Discussions. 2021-05-01. Vol. 228, p. 312-328. DOI : 10.1039/d0fd00131g.

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.

A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3

P. Ahlawat; A. Hinderhofer; E. A. R. Alharbi; H. Lu; A. Ummadisingu et al. 

Science Advances. 2021-04-23. Vol. 7, num. 17, p. eabe3326. DOI : 10.1126/sciadv.abe3326.

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.

A quantum magnetic analogue to the critical point of water

J. Larrea Jimenez; S. P. G. Crone; E. Fogh; M. E. Zayed; R. Lortz et al. 

Nature. 2021-04-15. Vol. 592, num. 7854, p. 370-+. DOI : 10.1038/s41586-021-03411-8.

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 X. 2021-04-12. Vol. 11, 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.

Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells

J. Jeong; M. Kim; J. Seo; H. Lu; P. Ahlawat et al. 

Nature. 2021-04-05. Vol. 592, num. 7854, p. 381-385. DOI : 10.1038/s41586-021-03406-5.

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.

Reviews

2021

Shear and Breathing Modes of Layered Materials

G. Pizzi; S. Milana; A. C. Ferrari; N. Marzari; M. Gibertini 

Acs Nano. 2021-08-24. Vol. 15, num. 8, p. 12509-12534. DOI : 10.1021/acsnano.0c10672.

Imaging with Coherent X-rays: From the Early Synchrotron Tests to SYNAPSE

G. Margaritondo; Y. Hwu 

Journal Of Imaging. 2021-08-01. Vol. 7, num. 8, p. 132. DOI : 10.3390/jimaging7080132.

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, p. e2000232. DOI : 10.1002/hlca.202000232.