Weitao Yang

Duke University

Public scientific profile · Unclaimed

Built from public scholarly sources. Expertise is inferred by ScienceWe from publications and has not been confirmed by the scientist.

Top expertise

  • Advanced Chemical Physics Studies

    Strong evidence · 10 supporting papers · latest 2026

  • Surface and Thin Film Phenomena

    Strong evidence · 1 supporting paper · latest 2026

  • Electrochemical Analysis and Applications

    Strong evidence · 1 supporting paper · latest 2026

  • Elasticity and Wave Propagation

    Strong evidence · 1 supporting paper · latest 2026

  • Force Microscopy Techniques and Applications

    Strong evidence · 1 supporting paper · latest 2026

  • High-Velocity Impact and Material Behavior

    Strong evidence · 1 supporting paper · latest 2026

  • Metalloenzymes and iron-sulfur proteins

    Solid evidence · 1 supporting paper · latest 2025

  • Advanced Differential Equations and Dynamical Systems

    Solid evidence · 1 supporting paper · latest 2025

Publications (18)

  • Fractional charge density functional theory elucidates electro-inductive and electric field effects at electrochemical interfaces

    2026DOIPMID 42296357

  • Correcting delocalization error in materials with localized orbitals and linear-response screening

    2026DOIPMID 42164962

  • Mechanism of controlled radical initiation in radical SAM GTP 3’,8-cyclase

    2025DOIPMID 41183211

  • Wannier functions dually localized in space and energy

    2025DOI

  • LibppRPA : An open-source library for particle–particle random phase approximation

    2026DOI

  • The rocky path of DFT into chemistry—Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953–2025

    2026DOIPMID 42562030

  • Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory

    2026DOI

  • Eliminating delocalization error through localized orbital scaling correction with orbital relaxation from linear response

    2026DOIPMID 42240657

  • olLOSC: Unified and efficient density functional approximation to correct delocalization error in molecules and periodic materials

    2026DOI

  • Electronic Excitation Energy Calculations with Configuration Interaction Based on Nonorthogonal Localized Molecular Orbitals

    2025DOIPMID 41263479

  • Velocity Gauge for Oscillator Strength in $Δ$SCF theory

    2026

  • Velocity Gauge for Oscillator Strength in $Δ$SCF theory

    2026DOI

  • PyGSC: A Python tool for correcting Kohn-Sham orbital energies by mitigating the delocalization error of density functional approximations

    2026DOI

  • Velocity gauge for oscillator strength in ΔSCF theory

    2026DOIPMID 42262036

  • Hybrid data-driven and mechanism-based modeling of an integrated methanol reforming PEM fuel cell system

    2026DOI

Organizations in sourced records

Affiliation evidence only — not confirmed current employment.

  • Duke University

Source: OpenAlex · retrieved 2026-09-29

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