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Tag: electronic structure

  • Quantum Tools Aid Simulation of Carbon Reduction with 5% Gain
    Quantum Algorithms, Quantum Machine Learning

    Quantum Tools Aid Simulation of Carbon Reduction

    by Muhammad Rohail T.March 31, 2026
  • IBM and Cleveland Clinic Demonstrate Protein Simulation with Quantum Computing
    Quantum Simulation, High Performance Computing, Quantum Computing

    Quantum Computing Simulates Protein Structure

    by Dr. DonovanMarch 27, 2026
  • Shows Orbital-Free Density Functional Theory Unlocks Electronic Structure under Extreme Conditions
    Quantum Simulation

    DFT Models Electronic Structure Under Extreme Conditions

    by Muhammad Rohail T.February 4, 2026
  • Chemically Decisive Benchmarks Advance Quantum Utility with [2fe-2s] Systems
    Quantum Research News

    Quantum Chemistry Benchmarks Advance Utility [2fe-2s]

    by Muhammad Rohail T.January 23, 2026
  • Boron-doped Graphene Achieves Enhanced Metal Adsorption with Three Varying Dopant Concentrations
    Space

    Boron-Doped Graphene Boosts Metal Adsorption

    by Muhammad Rohail T.January 15, 2026
  • Modelling Electrides Advances Catalysis, Transparent Conductors and Emergent Phenomena
    Quantum Technology

    Electrides Model Catalysis & Conductors

    by Muhammad Rohail T.January 7, 2026
  • Quantum Computing Achieves Chemical Accuracy with 24 Qubit Molecular Ground State Preparation
    Quantum Physics

    24-Qubit Quantum Computing Reaches Chemical Accuracy

    by Muhammad Rohail T.December 30, 2025
  • Quantum Chemistry Achieves 0.94 Accuracy, Paving Way for Quantum Advantage
    Quantum Computing

    Quantum Chemistry: 94% Accuracy Nears Advantage

    by Muhammad Rohail T.December 16, 2025
  • Optical Spectroscopy Tracks Zhang-Rice State Evolution in Overdoped Cuprates from 0.15 to 0.60 Doping
    Technology News

    Cuprates: Spectroscopy Maps Zhang-Rice State Evolution

    by Muhammad Rohail T.December 11, 2025
  • Graphene Monolayer Enhances Second-harmonic Generation Via Surface Plasmon-polariton Excitation in ATR Configuration
    Technology

    Graphene Boosts Second-harmonic Generation with

    by Muhammad Rohail T.November 27, 2025
  • Wannier Analysis Clarifies Direct-indirect Bandgap Transition in Stacked MoS Layers, a Key Material for Nanophotonic Devices
    Technology

    Wannier Analysis: MoS Layers & Bandgap Transition

    by Muhammad Rohail T.November 20, 2025
  • Quantum Processor Calculates Electronic Structure at Scale
    Quantum Simulation

    Quantum Processor Calculates Electronic Structure at Scale

    by Quantum MechanicNovember 6, 2025
  • Quantum Simulation of Actinide Chemistry Achieves Scalable Algorithms on Trapped Ion Quantum Computers with 19 Qubits
    Quantum Algorithms

    Quantum Simulation Models Plutonium with 19 Qubits

    by Muhammad Rohail T.October 31, 2025
  • Zigzag Graphene Nanoribbons on hBN Demonstrate One-Dimensional Moire Engineering and Modulated Edge States
    Technology

    Graphene Nanoribbons: Moiré Engineering & Edge States

    by Muhammad Rohail T.October 29, 2025
  • Path Integral Quantum Control Optimizes Parametrized Circuits Via Stochastic Schrödinger Equations for Electronic Structure Problems
    Quantum Algorithms, Quantum Research News

    Quantum Control Optimizes Molecular Circuits

    by Muhammad Rohail T.October 9, 2025
  • Transformer Networks Backflow Achieves Chemical Accuracy for [2Fe-2S] (30e,20o) Electronic Structure
    Quantum Research News

    Transformer Networks Map [2Fe-2S] Electronic Structure

    by Muhammad Rohail T.October 7, 2025
  • Fermionic Hamiltonians with Classical Interactions Achieve 1/3 Approximation Ratio for Ground Energy Search
    Quantum Research News

    Fermionic Hamiltonians: 1/3 Energy Approximation

    by Muhammad Rohail T.October 6, 2025
  • Rhombohedral Graphene Exhibits Magnetoelectric Switching, Enabling Non-Volatile Anomalous Hall Resistance Control
    Technology, Quantum Research News

    Graphene Magnetoelectric Switch Controls Hall Resistance

    by Muhammad Rohail T.October 2, 2025
  • Single Crystals Exhibit Metallic Behaviour and Lack Charge Density Waves at 488 K
    Quantum Technology, Quantum Research News

    Kagome Crystals Show Metallic Behavior at 488K

    by Muhammad Rohail T.September 29, 2025
  • Crsb Altermagnetism Exhibits Power-Law Magnetoresistance up to 35 T, Revealing Topological Berry Phase
    Quantum Research News

    Altermagnetism Shows Power-Law Resistance at 35T

    by Muhammad Rohail T.September 29, 2025
  • First-principles Study Reveals Thermodynamically Stable 160 meV “On-Top” Sulfur Divacancy in Monolayer WS₂
    Quantum Research News, Quantum Features

    WS₂ Sulfur Divacancy Shows Thermodynamic Stability

    by Muhammad Rohail T.September 26, 2025
  • Laser Fields Control Ultrafast Net Magnetization in g-Wave Altermagnets, Inducing Transient Ferrimagnetic-Like States
    Quantum Computing Business News

    Laser Controls Magnetization in Novel Altermagnet

    by Dr. DonovanSeptember 21, 2025
  • Kagome Metal: 100K Charge Density Wave Boosts Transport
    Physics

    Kagome Metal: 100K Charge Density Wave Boosts Transport

    by Dr. DonovanAugust 31, 2025
  • Active Space Selection Boosts Quantum Chemistry
    Quantum Applications

    Active Space Selection Boosts Quantum Chemistry

    by Dr. DonovanAugust 18, 2025
  • RL Automates Atomic Structure Creation
    Technology

    RL Automates Atomic Structure Creation

    by Dr. DonovanAugust 6, 2025
  • New Instrument Maps Electron Behavior with Unprecedented Detail
    Technology News

    Electron Behavior Mapped with New Instrument

    by The Quantum MechanicJuly 4, 2025
  • Scalable Neural Networks Accelerate Molecular Simulations and Electronic Structure Calculations.
    Artificial Intelligence

    Neural Networks Speed Molecular Simulations

    by Dr. DonovanJuly 1, 2025
  • Machine Learning Accurately Models Fermionic Hubbard System, Avoiding Ergodicity.
    Machine Learning

    Machine Learning Models Fermionic Hubbard System

    by Dr. DonovanJune 23, 2025
  • Quasiparticle Chirality and Electron-Phonon Interactions Drive Novel Material Phases.
    Physics

    Quasiparticle Chirality Drives Novel Material Phases

    by Dr. DonovanJune 23, 2025
  • Quantum Computing Accurately Models Benzene, Reveals Hardware Limitations for Chemistry.
    Quantum Applications

    Quantum Computing Models Benzene, Finds Hardware Limits

    by Dr. DonovanJune 7, 2025
  • Neural Networks and Pseudopotentials Expand Accurate Simulations of Complex Systems
    Quantum Computing

    Neural Networks Boost Complex System Simulations

    by Dr. DonovanMay 28, 2025
  • Auxiliary-Field Quantum Monte Carlo Benefits from Advanced Trial Wave Functions
    Physics

    AFQMC Improves with Advanced Trial Wave Functions

    by Dr. DonovanMay 27, 2025
  • Quantum Leap for Chemistry: IBM & Lockheed Martin Combine Quantum & Classical Computing for Accurate Molecular Simulations
    Quantum Computing Business News

    IBM & Lockheed Advance Quantum Molecular Simulations

    by Dr. DonovanMay 27, 2025
  • Demonstrating Error Correction in Quantum Computing for Molecular Systems Using Quantinuum H2-2
    Quantum Computing

    Quantum Computing Corrects Molecular Hydrogen Errors

    by Dr. DonovanMay 16, 2025
  • High-Quality Titanium Nitride Superconducting Films via Molecular Beam Epitaxy
    Quantum Research News

    TiN Films Boost Superconductivity via MBE

    by Dr. DonovanApril 16, 2025
  • Breakthrough in Quantum Computing for Chemically Accurate Simulations
    Quantum Applications

    Quantum Computing Enables Accurate Chemical Simulations

    by Dr. DonovanNovember 20, 2024
  • Quantum Algorithms for Machine Learning: Exploring Quantum AI
    Artificial Intelligence, Machine Learning

    Quantum Algorithms Boost Machine Learning

    by Dr. DonovanOctober 23, 2024
  • Unlocking DNA's Secrets: Mathematical Modeling of Charge Transport Revealed
    Quantum Research News

    DNA Charge Transport Modeling Revealed

    by Dr. DonovanSeptember 30, 2024
  • Quantum Computing for Quantum Chemistry Simulating Molecular Reactions
    Quantum Applications

    Quantum Computing Simulates Molecular Reactions

    by Dr. DonovanSeptember 1, 2024
  • Groundbreaking Discovery Reveals New Magnetic Phase Properties
    Analog Computing, Physics

    Magnetic Phase Discovery Reveals Anomalous Hall Effect

    by Dr. DonovanJuly 29, 2024
  • QuanDB: A Quantum Chemical Database Enhancing 3D Molecular Learning for Drug and Material Design
    Quantum Research News

    QuanDB: Quantum Database for Molecular Design

    by Dr. DonovanMay 1, 2024
  • Semiconductor Alloys' Electronic Structure Unveiled: ETBM Method Proves Crucial
    Physics

    Semiconductor Alloys: ETBM Unveils Structure

    by Physics NewsMarch 16, 2024
  • Quantum ML: New Descriptor Boosts Prediction Power
    Quantum Research News

    Quantum ML: New Descriptor Boosts Prediction Power

    by Dr. DonovanFebruary 18, 2024
  • Quantum Computing And Monte Carlo Methods: A New Frontier In Physics And Chemistry
    Quantum Applications

    Quantum Computing & Monte Carlo in Physics & Chemistry

    by Dr. DonovanJanuary 15, 2024
  • Quantum Chemistry: New Machine Learning Descriptor
    Quantum Research News

    Quantum Chemistry: New Machine Learning Descriptor

    by Dr. DonovanJanuary 15, 2024
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