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AkademIndex

Xizmatlar

Thomas D. Kühne

6 ta ish

Center for Advanced Systems Understanding

AkademScholarda batafsil koʻrsatkichlar

  1. Remarkable Optoelectronic Characteristics of Synthesizable Square‐Octagon Haeckelite Structures: Machine Learning Materials Discovery

    Ehsan Alibagheri, Ahmad Ranjbar, Mohammad Khazaei +2

    Maqola20243 iqtibos
    ABI

  2. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

    Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben +36

    Maqola20203 iqtibos
    ABI

  3. Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    MaqolaMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 iqtibos
    ABI

  4. Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations

    Jan Henning Keßler, Hossam Elgabarty, Thomas Spura +4

    MaqolaOchiq kirish20152 iqtibos
    ABI

  5. Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations

    Guillermo A. Ludueña, Thomas D. Kühne, Daniel Sebastiani

    Maqola20112 iqtibos
    ABI

  6. Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials

    Ehsan Alibagheri, Mohammad Khazaei, Bassam Rabihavi +3

    MaqolaMachine Learning in Materials ScienceACS Materials Letters20250 iqtibos
    ABI