Publications
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2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications
Part of Materials Today Advances, 2022.
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A perspective on nonlinearities in coherent magnetization dynamics
Part of Applied Physics Letters, 2022.
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Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO
Part of Journal of Power Sources, 2022.
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Analysis of molecular ligand functionalization process in nano-molecular electronic devices containing densely packed nano-particle functionalization shells
Part of Nanotechnology, 2022.
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Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes
Part of Energy Storage Materials, p. 313-325, 2022.
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Atomically sharp domain walls in an antiferromagnet
Part of Science Advances, 2022.
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Aurora Borealis in dentistry: The applications of cold plasma in biomedicine
Part of MATERIALS TODAY BIO, 2022.
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Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules
Part of Journal of Physical Chemistry Letters, p. 808-814, 2022.
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Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces
Part of Nanoscale Advances, p. 884-893, 2022.
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Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron
Part of Materials, 2022.
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Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications
Part of Wiley Interdisciplinary Reviews. Computational Molecular Science, 2022.
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Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations
Part of NPJ QUANTUM MATERIALS, 2022.
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Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells
Part of Scientific Reports, 2022.
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Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets
Part of Physical Review B, 2022.
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Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn5
Part of Science, p. 76-81, 2022.
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room 101195, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala 2022-05-23 13:15
Salemi, Leandro
First-principles theory of electrically-induced spin and orbital magnetization
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Harnessing elastic anisotropy to achieve low-modulus refractory high-entropy alloys for biomedical applications
Part of Materials & design, 2022.
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Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides
Part of Physical Chemistry, Chemical Physics - PCCP, p. 1532-1543, 2022.
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Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvesting
Part of Applied Surface Science, 2022.
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Magnetism and magnetic structure determination of a selected (Mn,Co)(23)B-6-compound
Part of Journal of Alloys and Compounds, 2022.
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Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis
Part of Green Chemistry, p. 1190-1210, 2022.
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Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms
Part of Journal of Nanobiotechnology, 2022.
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Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling
Part of Communications Physics, 2022.
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Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles
Part of Science Advances, 2022.
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Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice
Part of NPJ COMPUTATIONAL MATERIALS, 2022.
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Pressure induced structural phase transition and piezochromism in photovoltaic sillen compounds PbBiO2X (X = Cl, Br & I)
Part of APPLIED MATERIALS TODAY, 2022.
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Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd
Part of MATERIALS RESEARCH LETTERS, p. 156-162, 2022.
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Stabilizing superconductivity of ternary metal pentahydride CaCH5 via electronic topological transitions under high pressure from first principles evolutionary algorithm
Part of Scientific Reports, 2022.
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Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ(2) (Q = S, Se) monolayer
Part of Scientific Reports, 2022.
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Strain-mediated ferromagnetism and low-field magnetic reversal in Co doped monolayer WS2
Part of Scientific Reports, 2022.
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Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory
Part of The Journal of Physical Chemistry C, p. 3257-3264, 2022.
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Thermodefect voltage in graphene nanoribbon junctions
Part of Journal of Physics, 2022.
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Transitionless quantum driving in spin echo
Part of Physical Review Applied, 2022.
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Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution
Part of Journal of Physics D, 2022.
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Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy
Part of JOURNAL OF POWER SOURCES ADVANCES, 2022.
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Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications
Part of ACS Applied Energy Materials, p. 2300-2307, 2022.
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Universal quantum computation and quantum error correction using discrete holonomies
Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2022.
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X-ray Induced Fragmentation of Protonated Cystine
Part of Journal of Physical Chemistry A, p. 1496-1503, 2022.
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2p x-ray absorption spectroscopy of 3d transition metal systems
Part of Journal of Electron Spectroscopy and Related Phenomena, 2021.
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A spatial analysis of parliamentary elections in Sweden 1985-2018
Part of APPLIED NETWORK SCIENCE, 2021.
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A unique view of SARS-CoV-2 through the lens of ORF8 protein
Part of Computers in Biology and Medicine, 2021.
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Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17
Part of Journal of Alloys and Compounds, 2021.
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Adiabatic Shortcut to Geometric Quantum Computation in Noiseless Subsystems
2021.
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Adlayer influence on Dirac-type surface state at W(110)
Part of Journal of Physics, 2021.
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All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film
Part of European Journal of Inorganic Chemistry, p. 1736-1744, 2021.
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Alloying effect on the order-disorder transformation in tetragonal FeNi
Part of Scientific Reports, 2021.
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Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction
Part of MATERIALS TODAY BIO, 2021.
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Analyzer-free, intensity-based, wide-field magneto-optical microscopy
Part of Applied Physics Reviews, 2021.
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Anisotropic ultrafast spin dynamics in epitaxial cobalt
Part of Applied Physics Letters, 2021.
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Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries
Part of Energy & Fuels, p. 9001-9009, 2021.
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As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution
Part of ISCIENCE, 2021.
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Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys
Part of Journal of Materials Science & Technology, p. 66-74, 2021.
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Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost
Part of ACS Nano, p. 4347-4356, 2021.
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Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment
Part of Materials Today, p. 533-569, 2021.
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Biocompatibility of an additively manufactured zirconium-based bulk metallic glass: Effect of surface roughness on osteoblastic cell response
Part of Swedish Arena for Metal Additive Manufacturing 2021., 2021.
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Can experiment determine the stacking fault energy of metastable alloys?
Part of Materials & design, 2021.
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Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)(2)(CO)(2)](2+): insights from first-principles theory
Part of Sustainable Energy & Fuels, p. 6066-6076, 2021.
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Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene
Part of Physical Review B, 2021.
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Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules
Part of Small, 2021.
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Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules
Part of Nano Letters, p. 3026-3032, 2021.
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Coexisting commensurate and incommensurate charge ordered phases in CoO
Part of Scientific Reports, 2021.
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Edin, Emil
Computational Insights into Atomic Scale Wear Processes in Cemented Carbides
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Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
Part of Physical Review B, 2021.
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Constructing Numerical Methods For Solving The Guiding Equation In Bohmian Mechanics
2021.
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Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface
Part of Physical Review Letters, 2021.
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Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor
Part of Nano Letters, p. 6748-6755, 2021.
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COVID-19 Vaccines and Thrombosis-Roadblock or Dead-End Street?
Part of Biomolecules, 2021.
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Data-driven design of a new class of rare-earth free permanent magnets
Part of Acta Materialia, 2021.
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Deterministic chaos and fractal entropy scaling in Floquet conformal field theories
Part of Physical Review B, 2021.
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Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors
Part of Physical Review B, 2021.
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Difference between angular momentum and pseudoangular momentum
Part of Physical Review B, 2021.
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Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions
Part of Physical Review B, 2021.
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Distinguishing trivial and topological zero-energy states in long nanowire junctions
Part of Physical Review B, 2021.
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Esteban-Puyuelo, Raquel
Dynamics of excited electronic states in functional materials
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Effect of Electronic Exchange-Correlation Interaction in the Physics of Ion Insertion in Organic Salts
2021.
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Effect of layered geological structures on borehole heat transfer
Part of Geothermics, 2021.
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Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation
Part of Physical Review Materials, 2021.
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Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries
Part of ACS Applied Energy Materials, p. 215-225, 2021.
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Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6
Part of ACR Open Rheumatology, p. 642-653, 2021.
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Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces
Part of SciPost Physics, 2021.
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Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems
Part of Physical Review B, 2021.
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Electron localization function implementation in the exact muffin-tin orbitals method
Part of Physical Review B, 2021.
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Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping
Part of ACS APPLIED ELECTRONIC MATERIALS, p. 733-742, 2021.
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ELECTRONIC STRUCTURE AND THERMODYNAMIC PROPERTIES OF LI-IONINSERTION IN SULFONAMIDES COMPOUNDS AS ORGANIC HIGH-ENERGY DENSITY CATHODES
2021.
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Electron-Phonon Coupling and Electron-Phonon Scattering in SrVO3
Part of Advanced Science, 2021.
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Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation
Part of The Journal of Physical Chemistry C, p. 11714-11721, 2021.
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Equation of motion truncation scheme based on partial orthogonalization
Part of European Physical Journal B, 2021.
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Evolution of Spatial Political Community Structures in Sweden 1985–2018
Part of Complex Networks & Their Applications IX, p. 275-285, 2021.
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Exchange constants for local spin Hamiltonians from tight-binding models
Part of Physical Review B, 2021.
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Exploring multichannel superconductivity in ThFeAsN
Part of Physical Review B, 2021.
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Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection
Part of RSC Advances, p. 35982-35987, 2021.
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Floquet engineering bulk odd-frequency superconducting pairs
Part of Physical Review B, 2021.
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Fractional integral representation in statistical thermodynamics of confined systems
Part of Physical review. E, 2021.
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Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz
Part of Advanced Materials, 2021.
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Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination
Part of Physical Review B, 2021.
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Harnessing the unique properties of MXenes for advanced rechargeable batteries
Part of Journal of Physics, 2021.
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Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
Part of Physical Review B, 2021.
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High-order finite difference method for the Schrödinger equation on deforming domains
Part of Journal of Computational Physics, 2021.
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High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus
Part of ACS Applied Energy Materials, p. 7900-7910, 2021.
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High-temperature superconductor of sodalite-like clathrate hafnium hexahydride
Part of Scientific Reports, 2021.
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High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case
Part of Journal of Alloys and Compounds, 2021.
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Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer
Part of New Journal of Chemistry, p. 3892-3900, 2021.
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In Situ Pseudopotentials for Electronic Structure Theory
Part of The Journal of Physical Chemistry C, p. 15103-15111, 2021.
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Induced odd-frequency superconducting state in vertex-corrected Eliashberg theory
Part of Physical Review B, 2021.
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Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets
Part of Physical Review B, 2021.
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Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems
Part of Physical Review B, 2021.
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Kinetic samplers for neural quantum states
Part of Physical Review B, 2021.
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Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations
Part of The Journal of Physical Chemistry C, p. 3631-3639, 2021.
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Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation
Part of Physical Review B, 2021.
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Magnon-magnon entanglement and its quantification via a microwave cavity
Part of Physical Review B, 2021.
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Majority gate for two-dimensional ferromagnets lacking inversion symmetry
Part of Physical Review Research, 2021.
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Manipulation of Stacking Order in Td-WTe2 by Ultrafast Optical Excitation
Part of ACS Nano, p. 8826-8835, 2021.
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Material informatics for uranium-bearing equiatomic disordered solid solution alloys
Part of Materials Today Communications, 2021.
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Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation
Part of Sustainable Energy & Fuels, p. 564-574, 2021.
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Metallic one-dimensional heterostructure for gas molecule sensing
Part of Scientific Reports, 2021.
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Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling
2021.
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Nitrogen-Containing Gas Sensing Properties of 2-D Ti2N and Its Derivative Nanosheets: Electronic Structures Insight
Part of Nanomaterials, 2021.
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NMR Refinement and Peptide Folding Using the GROMACS Software
Part of Journal of Biomolecular NMR, p. 143-149, 2021.
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Orbital and electronic entanglement in quantum teleportation schemes
Part of Physical Review Research, 2021.
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Osteoblastic cell response to an additively manufactured zirconium-based bulk metallic glass
Part of 31st Conference of the European Society for Biomaterials., 2021.
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Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering
Part of ACTA CRYSTALLOGRAPHICA A - FOUNDATION AND ADVANCES, p. 509-518, 2021.
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Phase Diagrams of Finite Spin Chains with Coupled Spin and Lattice Vibrations
2021.
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Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures
Part of Physical Review B, 2021.
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Photoelectron dispersion in metallic and insulating VO2 thin films
Part of Physical Review Research, 2021.
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Sinelnikova, Anna
Polymer and Protein Physics: Simulations of Interactions and Dynamics
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Polypeptoid Material as an Anchoring Material for Li-S Batteries
Part of ACS Applied Energy Materials, p. 13070-13076, 2021.
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Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures
Part of Physical Review B, 2021.
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Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures
Part of Physical Review Materials, 2021.
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Protein orientation in time-dependent electric fields: orientation before destruction
Part of Biophysical Journal, p. 3709-3717, 2021.
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Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers
Part of Physical Review Materials, 2021.
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Realizing nonadiabatic holonomic quantum computation beyond the three-level setting
Part of Physical Review A. Atomic, Molecular, and Optical Physics, 2021.
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Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space
Part of ACS Omega, p. 33240-33252, 2021.
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Remote Mesoscopic Signatures of Induced Magnetic Texture in Graphene
Part of Physical Review Letters, 2021.
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Reproducibility in the unfolding process of protein induced by an external electric field
Part of Chemical Science, p. 2030-2038, 2021.
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Löthman, Tomas
Robust Platforms for Superconductivity: Disorder Robustness and Topological Density of States Peaks
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Role of defects in ultrafast charge recombination in monolayer MoS2
Part of Physical Review B, 2021.
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Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111)
Part of MAGNETOCHEMISTRY, 2021.
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Schrodi, Fabian
Selfconsistent theory of superconductivity in unconventional superconductors
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Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations
Part of Materials Research Express, 2021.
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Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect
Part of Physical Review B, 2021.
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Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope
Part of Scientific Reports, 2021.
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Spin pumping at terahertz nutation resonances
Part of Physical Review B, 2021.
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Stabilization and electronic topological transition of hydrogen-rich metal Li5MoH11 under high pressures from first-principles predictions
Part of Scientific Reports, 2021.
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Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor
Part of Physical Review B, 2021.
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Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations
Part of Materials Advances, p. 1024-1034, 2021.
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Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces
Part of Physical Review Research, 2021.
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Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism
Part of The Journal of Physical Chemistry C, p. 18467-18473, 2021.
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Targeting LIN28: a new hope in prostate cancer theranostics
Part of Future Oncology, p. 3873-3880, 2021.
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Temperature Dependence of Charge and Spin Transfer in Azurin
Part of The Journal of Physical Chemistry C, p. 9875-9883, 2021.
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The 2021 ultrafast spectroscopic probes of condensed matter roadmap
Part of Journal of Physics, 2021.
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The influence of temperature on the elastic properties of body-centered cubic reduced activation steels
Part of Materials & design, 2021.
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The viral capsid as novel nanomaterials for drug delivery
Part of Future Science OA, 2021.
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Theoretical Prediction of a Bi-Doped beta-Antimonene Monolayer as a Highly Efficient Photocatalyst for Oxygen Reduction and Overall Water Splitting
Part of ACS Applied Materials and Interfaces, p. 56254-56264, 2021.
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Theory of magnon diffuse scattering in scanning transmission electron microscopy
Part of Physical Review B, 2021.
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Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries
Part of Journal of Power Sources, 2021.
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Theroy of magnetic inertial dynamics in two-sublattice ferromagnets
Part of Journal of Physics, 2021.
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Topology of SmB6 determined by dynamical mean field theory
Part of Physical Review B, 2021.
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Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones
Part of New Journal of Physics, 2021.
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Unconventional superconductivity mediated solely by isotropic electron-phonon interaction
Part of Physical Review B, 2021.
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Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+
Part of Journal of Chemical Physics, 2021.
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Unraveling complex magnetism in two-dimensional FeS2
Part of Physical Review B, 2021.
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A Game Theoretic Perspective on the Utterance Selection Model for Language Change
Part of The Evolution of Language, 2020.
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A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography
Part of Crystals, 2020.
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Ab initio typical medium theory of substitutional disorder
Part of Physical Review B, 2020.
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Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals
Part of Physical Review Research, 2020.
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Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices
Part of Journal of High Energy Physics (JHEP), 2020.
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Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures
Part of Physical Review Research, 2020.
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Damas, Giane B.
Atomic Scale Modelling in Photoelectrocatalysis: Towards the Development of Efficient Materials for Solar Fuel Production
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Naqvi, S. Rabab
Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications
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Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance
Part of Computational materials science, 2020.
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Bulk odd-frequency pairing in the superconducting Su-Schrieffer-Heeger model
Part of Physical Review B, 2020.
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Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands
Part of The Journal of Physical Chemistry C, p. 27185-27193, 2020.
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Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory
Part of Physical Review Letters, 2020.
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Coleman-Weinberg potential in p-adic field theory
Part of European Physical Journal C, 2020.
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Complexity of mixed allotropes of MoS2 unraveled by first-principles theory
Part of Physical Review B, 2020.
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Computational Design of Rare-Earth Reduced Permanent Magnets
Part of ENGINEERING, p. 148-153, 2020.
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Conical Intersections in Physics: An Introduction to Synthetic Gauge Theories
Springer, 2020.
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Critical assessment of Co-Cu phase diagram from first-principles calculations
Part of Physical Review B, 2020.
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Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen
Part of MATTER AND RADIATION AT EXTREMES, 2020.
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Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory
Part of Scientific Reports, 2020.
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Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results
Part of Physical Review B, 2020.
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Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation
Part of Science Advances, 2020.
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Disorder-robust $p$-wave pairing with odd frequency dependence in normal metal-conventional superconductor junctions
2020.
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Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron
Part of Acta Materialia, p. 43-50, 2020.
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Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents
Part of The Journal of Physical Chemistry C, p. 13609-13617, 2020.
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Efficient numerical method for evaluating normal and anomalous time-dependent equilibrium Green’s functions in inhomogeneous systems
2020.
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Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
Part of Nanoscale, p. 18289-18295, 2020.
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Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe
Part of Physical Review B, 2020.
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Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure
Part of Journal of Materials Chemistry C, p. 16392-16403, 2020.
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Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field
Part of International journal of hydrogen energy, p. 12384-12393, 2020.
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Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study
Part of Applied Surface Science, 2020.
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Equation of motion and the constraining field in ab initio spin dynamics
Part of Physical Review B, 2020.
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Everything you wanted to know about the TPA molecule adsorbed on Au(111)
2020.
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Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals
Part of Physical Review B, 2020.
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First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage
Part of RESULTS IN PHYSICS, 2020.
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First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
Part of Scientific Reports, 2020.
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First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters
Part of Nanomaterials, 2020.
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Formation of spatial patterns by spin-selective excitations of interacting fermions
Part of Physical Review B, 2020.
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Formulation of Model Problem for Chirality Induced Spin Selectivity Effect
2020.
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Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation
Part of Physical Review B, 2020.
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Generalization properties of neural network approximations to frustrated magnet ground states
Part of Nature Communications, 2020.
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Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy
Part of Nanomaterials, 2020.
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Geometric approach to fragile topology beyond symmetry indicators
Part of Physical Review B, 2020.
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Geometry along Evolution of Mixed Quantum States
Part of Physical Review Research, 2020.
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Hierarchy of magnon mode entanglement in antiferromagnets
Part of Physical Review B Condensed Matter, 2020.
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High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)
Part of ACS Applied Materials and Interfaces, p. 46212-46219, 2020.
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High-frequency magnon excitation due to femtosecond spin-transfer torques
Part of Physical Review B, 2020.
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Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer
Part of Nanomaterials, 2020.
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Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances
Part of Physical Review B, 2020.
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High-throughput and data-mining approach to predict new rare-earth free permanent magnets
Part of Physical Review B, 2020.
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Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts
Part of Catalysts, 2020.
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Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization
Part of Physical Review B, 2020.
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Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials
Part of Catalysis Science & Technology, p. 3279-3289, 2020.
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Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency
Part of Materials Today Energy, 2020.
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Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects
Part of Physical Review B, 2020.
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Landauer’s Principle in a Quantum Szilard Engine without Maxwell’s Demon
Part of Entropy, 2020.
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Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS2 Monolayer
Part of Nano letters (Print), p. 6372-6380, 2020.
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Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity
Part of NPJ QUANTUM MATERIALS, 2020.
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Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study
Part of Journal of Materials Science, p. 12488-12498, 2020.
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Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter
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Partial cation ordering, relaxor ferroelectricity, and ferrimagnetism in Pb(Fe1-xYbx)(2/3)W1/3O3 solid solutions
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Performance-Enhanced Non-Enzymatic Glucose Sensor Based on Graphene-Heterostructure
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Phonons in magnetically disordered materials: Magnetic versus phononic time scales
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Poisonous Vapor Adsorption on Pure and Modified Aluminum Nitride Nanosheet for Environmental Safety: A DFT Exploration
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Predicting the stacking fault energy of austenitic Fe-Mn-Al (Si) alloys
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Programable two-qubit gates in capacitively coupled flopping-mode spin qubits
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Progress in supercapacitors: roles of two dimensional nanotubular materials
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Recent Advancements and Future Prospects in Ultrathin 2D Semiconductor-Based Photocatalysts for Water Splitting
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Recent progress of defect chemistry on 2D materials for advanced battery anodes
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Relativistic exchange interactions in CrX3 (X = Cl, Br, I) monolayers
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Restricted Ion Transport by Plasticizing Side Chains in Polycarbonate-Based Solid Electrolytes
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Route to high-T-c superconductivity of BC7 via strong bonding of boron-carbon compound at high pressure
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Sensing the polar molecules MH3 (M = N, P, or As) with a Janus NbTeSe monolayer
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Spontaneous ferromagnetism and finite surface energy gap in the topological insulator Bi2Se3 from surface Bi-se antisite defects
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Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction
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Structural Insight of the Frailty of 2D Janus NbSeTe as an Active Photocatalyst
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Structure-based drug designing and immunoinformatics approach for SARS-CoV-2
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Superconductivity of superhydride CeH(10)under high pressure
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The role of ultrafast magnon generation in the magnetization dynamics of rare-earth metals
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Theory of out-of-equilibrium electron and phonon dynamics in metals after femtosecond laser excitation
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Thermoelectricity carried by proximity-induced odd-frequency pairing in ferromagnet/superconductor junctions
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Tracking the ultrafast nonequilibrium energy flow between electronic and lattice degrees of freedom in crystalline nickel
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Tuning the Electrochemical Properties of Organic Battery Cathode Materials: Insights from Evolutionary Algorithm DFT Calculations
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Unveiling Temperature-Induced Structural Domains and Movement of Oxygen Vacancies in SrTiO3 with Graphene
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Van der Waals induced molecular recognition of canonical DNA nucleobases on a 2D GaS monolayer
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Vibrational origin of exchange splitting and chiral-induced spin selectivity
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Yu-Shiba-Rusinov states of a single magnetic molecule in an s-wave superconductor
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A sub 20 nm metal-conjugated molecule junction acting as a nitrogen dioxide sensor
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Ab Initio Screening of Doped Mg(AlH4)(2) Systems for Conversion-Type Lithium Storage
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An emerging Janus MoSeTe material for potential applications in optoelectronic devices
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Anticarcinogenic activity of blue fluorescent hexagonal boron nitride quantum dots: as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin
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Artificial photosynthesis - 4-Aminobenzoic acids effect on charge transfer in a photo catalytic system
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Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations
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Atomistic Modeling of Various Doped Mg2NiH4 as Conversion Electrode Materials for Lithium Storage
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Best practice of extracting magnetocaloric properties in magnetic simulations
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Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions
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Charge disproportionate antiferromagnetism at the verge of the insulator-metal transition in doped LaFeO3
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