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Showing 1–19 of 19 results
Advanced filters: Author: Andrea Bethe Clear advanced filters

  • Simulations can be used to accelerate the characterization and discovery of materials. Here we Review how electronic-structure methods such as density functional theory work, what properties they can be used to predict and how they can be used to design materials.

    • Nicola Marzari
    • Andrea Ferretti
    • Chris Wolverton
    Reviews
    Nature Materials
    Volume: 20, P: 736-749

  • Graphene nanoribbons exhibit an electronic bandgap and optical response that can be tuned with the ribbon width. Here, using reflectance difference spectroscopy, Denk et al.investigate the exciton-dominated optical absorption of graphene nanoribbons and its dependence on the exact atomic structure.

    • Richard Denk
    • Michael Hohage
    • Pascal Ruffieux
    Research
    Nature Communications
    Volume: 5, P: 1-7

  • Theoretical physicist who discovered topological phases of matter.

    • Andrea Taroni
    Comments & Opinion
    Nature
    Volume: 569, P: 193

  • Our understanding of how heavy elements form within stars is incomplete. This Review highlights the emerging role of the intermediate neutron-capture process (i process) — between the slow and rapid processes — backed by stellar observations in tandem with advances in nuclear physics experiments and modelling.

    • Mathis Wiedeking
    • Stephane Goriely
    • Artemis Spyrou
    Reviews
    Nature Reviews Physics
    Volume: 7, P: 696-712

  • There are a number of non-trivial integrable models in one-dimension, making them an attractive starting point for studying quantum dynamics. Biella et al. study transport between two semi-infinite solvable models and show that a slowly-relaxing region forms around the integrability-breaking junction.

    • Alberto Biella
    • Mario Collura
    • Leonardo Mazza
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-11

  • All components of the proton–proton nuclear fusion chain, in which hydrogen is converted into helium in the Sun, are described, with several implications for fundamental solar and particle physics.

    • M. Agostini
    • K. Altenmüller
    • G. Zuzel
    Research
    Nature
    Volume: 562, P: 505-510

  • Large-scale metabolic models of organisms from microbes to mammals can provide great insight into cellular function, but their analysis remains challenging. Here, the authors provide an approximate analytic method to estimate the feasible solution space for the flux vectors of metabolic networks, enabling more accurate analysis under a wide range of conditions of interest.

    • Alfredo Braunstein
    • Anna Paola Muntoni
    • Andrea Pagnani
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-9

  • Interlayer excitons in bilayer MoS2 exhibit both a high oscillator strength and highly tunable energies in an applied electric field.

    • Nadine Leisgang
    • Shivangi Shree
    • Bernhard Urbaszek
    Research
    Nature Nanotechnology
    Volume: 15, P: 901-907

  • Polymerase Bcs3, which allows the fermentation-free synthesis of Haemophilus influenzae type b capsule for vaccine development, adopts a basket-like shape with all six active sites facing the interior, creating a protected environment for catalysis.

    • Javier O. Cifuente
    • Julia Schulze
    • Timm Fiebig
    ResearchOpen Access
    Nature Chemical Biology
    Volume: 19, P: 865-877

  • The enzymes that link bacterial capsule polymers to the outermembrane glycolipids, termed transition transferases, are identified, enabling reconstruction of the entire capsule biosynthesis pathway.

    • Christa Litschko
    • Valerio Di Domenico
    • Timm Fiebig
    ResearchOpen Access
    Nature Chemical Biology
    Volume: 21, P: 120-130

  • Neisseria meningitidis capsular polysaccharide (CPS) is a major virulence factor and vaccine formulations against Neisseria meningitidis serogroup A (NmA) contain O-acetylated CPS. Here, the authors provide mechanistic insights into CPS O-acetylation in NmA by determining the crystal structure of the O-acetyltransferase CsaC and NMR measurements further reveal that the CsaC-mediated reaction is regioselective for O3 and that the O4 modification results from spontaneous O-acetyl migration.

    • Timm Fiebig
    • Johannes T. Cramer
    • Martina Mühlenhoff
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-12

  • Understanding electronic stopping in self-irradiated silicon is crucial for advancing semiconductor technology in radiation-intensive environments. Here, the authors develop a path-dependent model using real-time time-dependent density-functional theory calculations, revealing a linear relationship between electronic stopping and mean electron density, which accurately predicts energy losses across various trajectories, enhancing predictive capabilities in irradiation scenarios.

    • Rafael Nuñez-Palacio
    • Andrea E. Sand
    ResearchOpen Access
    Communications Materials
    Volume: 6, P: 1-10