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

    IBM and Cleveland Clinic Demonstrate Protein Simulation with Quantum Computing

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

    Shows Orbital-Free Density Functional Theory Unlocks Electronic Structure under Extreme Conditions

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

    Chemically Decisive Benchmarks Advance Quantum Utility with [2fe-2s] Systems

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

    Boron-doped Graphene Achieves Enhanced Metal Adsorption with Three Varying Dopant Concentrations

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

    Modelling Electrides Advances Catalysis, Transparent Conductors and Emergent Phenomena with Unique Electronic Structures

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

    Quantum Computing Achieves Chemical Accuracy with 24 Qubit Molecular Ground State Preparation

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

    Quantum Chemistry Achieves 0.94 Accuracy, Paving Way for Quantum Advantage

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

    Optical Spectroscopy Tracks Zhang-Rice State Evolution in Overdoped Cuprates from 0.15 to 0.60 Doping

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

    Graphene Monolayer Enhances Second-harmonic Generation Via Surface Plasmon-polariton Excitation in ATR Configuration

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

    by Rohail T.November 20, 2025
  • Quantum Processor and 152,064 Classical Nodes Compute Electronic Structure at Full Scale
    Quantum Simulation

    Quantum Processor and 152,064 Classical Nodes Compute Electronic Structure at Full 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 of Actinide Chemistry Achieves Scalable Algorithms on Trapped Ion Quantum Computers with 19 Qubits

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

    Zigzag Graphene Nanoribbons on hBN Demonstrate One-Dimensional Moiré Engineering and Modulated Edge States

    by 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

    Path Integral Quantum Control Optimizes Parametrized Circuits Via Stochastic Schrödinger Equations for Electronic Structure Problems

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

    Transformer Networks Backflow Achieves Chemical Accuracy for [2Fe-2S] (30e,20o) Electronic Structure

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

    Fermionic Hamiltonians with Classical Interactions Achieve 1/3 Approximation Ratio for Ground Energy Search

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

    Rhombohedral Graphene Exhibits Magnetoelectric Switching, Enabling Non-Volatile Anomalous Hall Resistance Control

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

    Single Crystals Exhibit Metallic Behaviour and Lack Charge Density Waves at 488 K

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

    Crsb Altermagnetism Exhibits Power-Law Magnetoresistance up to 35 T, Revealing Topological Berry Phase

    by 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

    First-principles Study Reveals Thermodynamically Stable 160 meV “On-Top” Sulfur Divacancy in Monolayer WS₂

    by 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 Fields Control Ultrafast Net Magnetization in g-Wave Altermagnets, Inducing Transient Ferrimagnetic-Like States

    by Dr. DonovanSeptember 21, 2025
  • Researchers Discover 100 K Charge Density Wave in Kagome Metal for Enhanced Transport
    Physics

    Researchers Discover 100 K Charge Density Wave in Kagome Metal for Enhanced Transport

    by Dr. DonovanAugust 31, 2025
  • Unified Entropy and Projection Method Improves Active Space Selection in Chemistry
    Quantum Applications

    Unified Entropy and Projection Method Improves Active Space Selection in Chemistry

    by Dr. DonovanAugust 18, 2025
  • Reinforcement Learning Automates Atomic Structure Creation with Scanning Tunneling Microscopy
    Technology

    Reinforcement Learning Automates Atomic Structure Creation with Scanning Tunneling Microscopy

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

    New Instrument Maps Electron Behavior with Unprecedented Detail

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

    Scalable Neural Networks Accelerate Molecular Simulations and Electronic Structure Calculations.

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

    Machine Learning Accurately Models Fermionic Hubbard System, Avoiding Ergodicity.

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

    Quasiparticle Chirality and Electron-Phonon Interactions Drive Novel Material Phases.

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

    Quantum Computing Accurately Models Benzene, Reveals Hardware Limitations for Chemistry.

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

    Neural Networks and Pseudopotentials Expand Accurate Simulations of Complex Systems

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

    Auxiliary-Field Quantum Monte Carlo Benefits from 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

    Quantum Leap for Chemistry: IBM & Lockheed Martin Combine Quantum & Classical Computing for Accurate Molecular Simulations

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

    Demonstrating Error Correction in Quantum Computing for Molecular Systems Using Quantinuum H2-2

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

    Breakthrough in Quantum Computing for Chemically Accurate Simulations

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

    Quantum Algorithms for Machine Learning: Exploring Quantum AI

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

    Unlocking DNA’s Secrets: Mathematical Modeling of Charge Transport Revealed

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

    Quantum Computing for Quantum Chemistry Simulating Molecular Reactions

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

    Groundbreaking Discovery Reveals New Magnetic Phase Properties

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

    QuanDB: A Quantum Chemical Database Enhancing 3D Molecular Learning for Drug and Material Design

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

    Semiconductor Alloys’ Electronic Structure Unveiled: ETBM Method Proves Crucial

    by Physics NewsMarch 16, 2024
  • New Quantum-Inspired Descriptor Enhances Predictive Power in Machine Learning Models
    Quantum Research News

    New Quantum-Inspired Descriptor Enhances Predictive Power in Machine Learning Models

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

    Quantum Computing And Monte Carlo Methods: A New Frontier In Physics And Chemistry

    by Dr. DonovanJanuary 15, 2024
  • New Quantum-Inspired Descriptor Enhances Predictive Power In Machine Learning Models in Quantum Chemistry
    Quantum Research News

    New Quantum-Inspired Descriptor Enhances Predictive Power In Machine Learning Models in Quantum Chemistry

    by Dr. DonovanJanuary 15, 2024
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