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Tag: first-principles calculations

  • Close-up illustration of a cylindrical tube or rod with a dark rough textured surface, featuring a fine granular or woven pattern that gradually lightens toward the center highlight, resembling carbon fiber, graphite, or weathered metal
    Quantum Computing

    Ruo Films’ Magnetism Fragile, Strain Alters Properties

    by Rohail T.February 20, 2026
  • New Materials Exhibit Superconductivity after Surface Functionalisation with Common Elements
    Physics

    New Materials Exhibit Superconductivity after Surface Functionalisation with Common Elements

    by Rohail T.February 17, 2026
  • Gold Compound Defies Chemical Rules by Stabilising Rare 2+ Oxidation State
    Quantum Research News

    Gold Compound Defies Chemical Rules by Stabilising Rare 2+ Oxidation State

    by Rohail T.February 16, 2026
  • New Layered Material Confirmed As Unique Altermagnet, Paving Way for Spintronics
    Quantum Mechanics

    New Layered Material Confirmed As Unique Altermagnet, Paving Way for Spintronics

    by Rohail T.February 12, 2026
  • Lattice Disorder Unlocks New Understanding of Superconductivity in Materials Like H3S
    Quantum Mechanics

    Lattice Disorder Unlocks New Understanding of Superconductivity in Materials Like H3S

    by Rohail T.February 11, 2026
  • New Material Superconducts at 60.8 Kelvin, Potentially Revolutionising Energy Transmission
    Physics

    New Material Superconducts at 60.8 Kelvin, Potentially Revolutionising Energy Transmission

    by Rohail T.February 6, 2026
  • New Magnetic Textures Could Shrink Future Data Storage Devices Dramatically
    Physics

    New Magnetic Textures Could Shrink Future Data Storage Devices Dramatically

    by Rohail T.February 6, 2026
  • Quantum Magnetism Breakthrough Bypasses Key Rules of Material Science
    Technology

    Quantum Magnetism Breakthrough Bypasses Key Rules of Material Science

    by Rohail T.February 5, 2026
  • Gdgai Research Reveals Stable Phonon Dispersion and 5d/4p Electronic Bands
    Space

    Gdgai Research Reveals Stable Phonon Dispersion and 5d/4p Electronic Bands

    by Rohail T.February 4, 2026
  • Giant Second-Harmonic Generation Achieves 104 Susceptibility in Bismuth Monolayer
    Emerging Technology

    Giant Second-Harmonic Generation Achieves 104 Susceptibility in Bismuth Monolayer

    by Rohail T.February 2, 2026
  • Elastocaloric Effect Probes -Wave Altermagnetic Criticality in MnF at Finite Temperature
    Physics

    Elastocaloric Effect Probes -Wave Altermagnetic Criticality in MnF at Finite Temperature

    by Rohail T.January 29, 2026
  • Quantum-inspired Rule Achieves Faster Discovery of Topological Materials
    Quantum Research News

    Quantum-inspired Rule Achieves Faster Discovery of Topological Materials

    by Rohail T.December 17, 2025
  • Cusnse Materials Exhibit Switching of Topological Phase Transition to Ideal Weyl States Via Bandgap Closure
    Technology News

    Cusnse Materials Exhibit Switching of Topological Phase Transition to Ideal Weyl States Via Bandgap Closure

    by Rohail T.December 13, 2025
  • Nanotubes and Nanospheres Theoretically Preserve High-pressure Materials to Ambient Conditions, Assessed Via Physical Modelling
    Technology

    Nanotubes and Nanospheres Theoretically Preserve High-pressure Materials to Ambient Conditions, Assessed Via Physical Modelling

    by Rohail T.November 26, 2025
  • Wannier Analysis Clarifies Direct-indirect Bandgap Transition in Stacked MoS Layers, a Key Material for Nanophotonic Devices
    Technology

    Wannier Analysis Clarifies Direct-indirect Bandgap Transition in Stacked MoS Layers, a Key Material for Nanophotonic Devices

    by Rohail T.November 20, 2025
  • Porous-b: a Topological Semimetal with Coexisting Nodal-Line and Nodal-Surface States Stable up to 1000 K
    Quantum Technology

    Porous-b: a Topological Semimetal with Coexisting Nodal-Line and Nodal-Surface States Stable up to 1000 K

    by Rohail T.November 14, 2025
  • Liznas Exhibits Intertwined Hyperferroelectricity and Tunable Topological Phases with Giant Rashba Effect
    Technology News

    Liznas Exhibits Intertwined Hyperferroelectricity and Tunable Topological Phases with Giant Rashba Effect

    by Rohail T.November 7, 2025
  • Ptsr5 Hosts a Normal Dirac Semimetal Phase with Trivial Z2 Topology, Confirmed by Symmetry-Indicator Analysis
    Quantum Research News

    PtSr₅ Hosts a Normal Dirac Semimetal Phase with Trivial Z₂ Topology, Confirmed by Symmetry-Indicator Analysis

    by Rohail T.November 4, 2025
  • Helium-rare Gas Compounds Stabilize at Sub-Terapascal Pressures, Exhibiting Metallic and Excitonic Insulator Phases
    Physics

    Helium-rare Gas Compounds Stabilize at Sub-Terapascal Pressures, Exhibiting Metallic and Excitonic Insulator Phases

    by Rohail T.November 1, 2025
  • Hexa-graphyne: Stable 2D Carbon Allotrope Demonstrates 13x Lower Young’s Modulus and Visible-Light Transparency
    Technology

    Hexa-graphyne: Stable 2D Carbon Allotrope Demonstrates 13x Lower Young’s Modulus and Visible-Light Transparency

    by Rohail T.October 31, 2025
  • Snsigen4 MXene Exhibits Tunable Band Gaps and Potential for Efficient OER, ORR, and HER Catalysis
    Technology, Quantum Research News

    Snsigen4 MXene Exhibits Tunable Band Gaps and Potential for Efficient OER, ORR, and HER Catalysis

    by Rohail T.October 13, 2025
  • Hc6 Stabilizes in Robust Ferrimagnetic Ground State, Suppressing Superconductivity Despite 37.4 K Tc and 0.175 eV Energy Difference
    Technology, Quantum Research News

    Hc6 Stabilizes in Robust Ferrimagnetic Ground State, Suppressing Superconductivity Despite 37.4 K Tc and 0.175 eV Energy Difference

    by Rohail T.September 29, 2025
  • Sn-doped Kagome Superconductors Exhibit Short-Range Charge Stripe Order Upon Suppression of Long-Range Order
    Quantum Research News

    Sn-doped Kagome Superconductors Exhibit Short-Range Charge Stripe Order Upon Suppression of Long-Range Order

    by Rohail T.September 24, 2025
  • Researchers Reveal Magnetic Exchange Interactions in Kagome Antiferromagnets FeGe and FeSn
    Quantum Research News

    Researchers Reveal Magnetic Exchange Interactions in Kagome Antiferromagnets FeGe and FeSn

    by Quantum NewsSeptember 5, 2025
  • XtalPi Holdings to Announce Interim Results August 27
    Quantum Computing Business News

    XtalPi Holdings to Announce Interim Results August 27

    by Quantum NewsAugust 18, 2025
  • Machine Learning Accelerates Prediction of Defect Vibrational Properties in Solids
    Machine Learning

    Machine Learning Accelerates Prediction of Defect Vibrational Properties in Solids

    by Quantum NewsAugust 13, 2025
  • Strain Tuning Drives Topological Phase Transitions and Chern Number Reversal in Altermagnet
    Quantum Research News

    Strain Tuning Drives Topological Phase Transitions and Chern Number Reversal in Altermagnet

    by Quantum NewsJuly 31, 2025
  • AI System Speeds Discovery of Novel Topological Materials
    Quantum Computing, Artificial Intelligence

    AI System Speeds Discovery of Novel Topological Materials

    by Quantum NewsJuly 8, 2025
  • Stress-Induced Spin Currents in Antiferromagnets Offer New Spintronic Potential.
    Quantum Technology

    Stress-Induced Spin Currents in Antiferromagnets Offer New Spintronic Potential.

    by Quantum NewsJuly 2, 2025
  • High-Performance Thermoelectric Materials Enabled by Low-Dimensional Band Structures.
    Quantum Research News

    High-Performance Thermoelectric Materials Enabled by Low-Dimensional Band Structures.

    by Quantum NewsJune 30, 2025
  • Hybrid Quantum-Classical Computing Enables Simulations of Complex Chemical Systems.
    Drug Discovery

    Hybrid Quantum-Classical Computing Enables Simulations of Complex Chemical Systems.

    by Quantum NewsJune 24, 2025
  • High-Quality Titanium Nitride Superconducting Films via Molecular Beam Epitaxy
    Quantum Research News

    High-Quality Titanium Nitride Superconducting Films via Molecular Beam Epitaxy

    by Quantum NewsApril 16, 2025
  • Symmetry's Role in Majorana Zero Modes Formation: Insights from Magnetic Atomic Chains and Topological Properties
    Quantum Research News

    Symmetry’s Role in Majorana Zero Modes Formation: Insights from Magnetic Atomic Chains and Topological Properties

    by Quantum NewsApril 11, 2025

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