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Tag: density functional theory

  • Co Diffusion on ASW Achieves Key Insights into 22-Molecule Ice Chemistry
    Quantum Research News

    Co Diffusion on ASW Achieves Key Insights into 22-Molecule Ice Chemistry

    by Rohail T.January 23, 2026
  • Catmaster Achieves Faster Heterogeneous Catalysis Research Using LLM-Driven Workflows
    Technology

    Catmaster Achieves Faster Heterogeneous Catalysis Research Using LLM-Driven Workflows

    by Rohail T.January 23, 2026
  • Stronger Quantum Divergences Enable Improved Noisy Channel Characterization
    Technology

    Enables Fiber-Based Quantum Communication Via Stable Defect States in Hexagonal Boron Nitride

    by Rohail T.January 9, 2026
  • Llm Behavior Elicitation Advances with Multi-Turn Technique, Demonstrates 77% Success
    Technology

    Vibrational Circular Dichroism Achieves Origin-Invariant Spectra Without Gauge-Including Atomic Orbitals

    by Rohail T.January 9, 2026
  • Non-euclidean Interfaces Enable Exploration of Infinite Graphene Lattice Orientations
    Technology

    Non-euclidean Interfaces Enable Exploration of Infinite Graphene Lattice Orientations

    by Rohail T.January 8, 2026
  • Scanning Tunneling Microscopy of Fe Adatoms in 1T-TaS₂
    Physics

    Scanning Tunneling Microscopy Reveals Distinct Fe Adatom Coupling in 1T-TaS2 Charge Density Waves

    by Rohail T.January 7, 2026
  • Robust One-Dimensional Edge Channels Achieved in Three-Dimensional Quantum Spin Hall Insulator
    Quantum Technology

    Robust One-Dimensional Edge Channels Achieved in Three-Dimensional Quantum Spin Hall Insulator

    by Rohail T.January 5, 2026
  • OPoly26 Polymer Benchmark Dataset
    Quantum Machine Learning

    Polymer Research Advances with OPoly26, a 6.57 Million Data Point Benchmark Dataset

    by Rohail T.January 5, 2026
  • Data-driven Quantum Embedding Enables Faster Simulations, Reducing Computational Bottlenecks in DFT
    Quantum Mechanics

    Data-driven Quantum Embedding Enables Faster Simulations, Reducing Computational Bottlenecks in DFT

    by Rohail T.December 31, 2025
  • Sn Intercalation Enables Gap Opening in Quasi-Free-Standing Graphene for Advanced Electronics
    Technology

    Sn Intercalation Enables Gap Opening in Quasi-Free-Standing Graphene for Advanced Electronics

    by Rohail T.December 30, 2025
  • Machine Learning Molecular Dynamics Advances Thermal Modelling of Graphene Oxide
    Quantum Machine Learning

    Machine Learning Molecular Dynamics Advances Thermal Modelling of Graphene Oxide

    by Rohail T.December 30, 2025
  • Nitrogen-vacancy Centers Advance Vibronic Coupling Understanding Via Multimode Jahn-Teller Effect Study
    Quantum Research News

    Nitrogen-vacancy Centers Advance Vibronic Coupling Understanding Via Multimode Jahn-Teller Effect Study

    by Rohail T.December 22, 2025
  • High-throughput Characterization of Moiré Homobilayers Enables Rapid Material Discovery
    Physics

    High-throughput Characterization of Moiré Homobilayers Enables Rapid Material Discovery

    by Rohail T.December 22, 2025
  • Two-dimensional Noble Metals Enable 5% More Flexible Electronics Via Kagome Topology
    Technology

    Two-dimensional Noble Metals Enable 5% More Flexible Electronics Via Kagome Topology

    by Rohail T.December 19, 2025
  • Machine Learning Achieves 95% Accuracy in Optimized K-Point Mesh Generation for Quantum ESPRESSO
    Quantum Research News

    Machine Learning Achieves 95% Accuracy in Optimized K-Point Mesh Generation for Quantum ESPRESSO

    by Rohail T.December 19, 2025
  • Chemical Engineering Enables Altermagnetism in Two-Dimensional Metal-Organic Frameworks
    Deep Tech

    Chemical Engineering Enables Altermagnetism in Two-Dimensional Metal-Organic Frameworks

    by Rohail T.December 18, 2025
  • 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
  • Local Quantum Friction Method Achieves Unitary Dynamics in Large Fermi Systems
    Quantum Simulation

    Local Quantum Friction Method Achieves Unitary Dynamics in Large Fermi Systems

    by Rohail T.December 17, 2025
  • Deep Learning-Based Quantum Transport Simulations Enable Efficient Analysis of Two-Dimensional Materials
    Technology

    Deep Learning-Based Quantum Transport Simulations Enable Efficient Analysis of Two-Dimensional Materials

    by Rohail T.December 16, 2025
  • Ai-powered Discovery Reveals Electronic Quasicrystals and Crystalline Phases in Semiconductor Quantum Wells
    Quantum Mechanics

    Ai-powered Discovery Reveals Electronic Quasicrystals and Crystalline Phases in Semiconductor Quantum Wells

    by Rohail T.December 13, 2025
  • First-principles Study Reveals Ge-Sn Terminated Halide Perovskite Interfaces for Enhanced Optoelectronic and Piezoelectric Properties
    Emerging Technology

    First-principles Study Reveals Ge-Sn Terminated Halide Perovskite Interfaces for Enhanced Optoelectronic and Piezoelectric Properties

    by Rohail T.December 13, 2025
  • Quantum Density Functional Theory Framework Calculates Cubic Response at First Harmonic for Non-Linear Systems
    Physics

    Quantum Density Functional Theory Framework Calculates Cubic Response at First Harmonic for Non-Linear Systems

    by Rohail T.December 10, 2025
  • Remote Epitaxial Frustration Demonstrated in GdAuGe Films with Disordered Interlayers and Rotated Relationships
    Technology

    Remote Epitaxial Frustration Demonstrated in GdAuGe Films with Disordered Interlayers and Rotated Relationships

    by Rohail T.December 9, 2025
  • Gpu-portable Density Functional Theory Achieves 2.0-2.8 Speedups on AMD MI300A and Intel GH200 Architectures
    Technology News

    Gpu-portable Density Functional Theory Achieves 2.0-2.8 Speedups on AMD MI300A and Intel GH200 Architectures

    by Rohail T.December 6, 2025
  • Transformer Predicts Stability of 13-Atom Nanoclusters, Trained on 240 Bimetallic DFT Calculations
    Quantum Research News

    Transformer Predicts Stability of 13-Atom Nanoclusters, Trained on 240 Bimetallic DFT Calculations

    by Rohail T.December 5, 2025
  • 2d Materials: Exchange-Correlation Functionals Predict Structural, Optoelectronic, Magnetic, and Thermal Properties
    Quantum Machine Learning

    2d Materials: Exchange-Correlation Functionals Predict Structural, Optoelectronic, Magnetic, and Thermal Properties

    by Rohail T.December 3, 2025
  • Neural Network Approximation Advances Regularized Density Functionals for Ground-State Energy Minimization
    Quantum Research News

    Neural Network Approximation Advances Regularized Density Functionals for Ground-State Energy Minimization

    by Rohail T.November 25, 2025
  • Geometry of Generalized Density Functional Theories Solves -Representability Problem Using Symplectic Geometry
    Quantum Research News

    Geometry of Generalized Density Functional Theories Solves -Representability Problem Using Symplectic Geometry

    by Rohail T.November 24, 2025
  • La₂NiO₄ under Pressure Exhibits Suppressed 0.4, 0.7 eV Stoner Parameter, Precluding Superconductivity
    Technology News

    La₂NiO₄ under Pressure Exhibits Suppressed 0.4, 0.7 eV Stoner Parameter, Precluding Superconductivity

    by Rohail T.November 21, 2025
  • Twin-boundary-induced Nonrelativistic Spin Splitting Enables Spintronic Devices in BiCoO and CoO Materials
    Quantum Computing Business News

    Twin-boundary-induced Nonrelativistic Spin Splitting Enables Spintronic Devices in BiCoO and CoO Materials

    by Rohail T.November 20, 2025
  • Dft Workflow Interoperability Enables Engine-Agnostic Calculations across CASTEP, VASP and Other Codes
    Quantum Internet

    Dft Workflow Interoperability Enables Engine-Agnostic Calculations across CASTEP, VASP and Other Codes

    by Rohail T.November 18, 2025
  • Txl Fusion: Machine Learning Framework Accelerates Topological Materials Discovery with Enhanced Accuracy
    Quantum Computing

    Txl Fusion: Machine Learning Framework Accelerates Topological Materials Discovery with Enhanced Accuracy

    by Rohail T.November 17, 2025
  • Co Sn S Magnetism Suppressed under 10.8 GPa Pressure, Enabling Tunable Band Topology
    Technology News

    Co Sn S Magnetism Suppressed under 10.8 GPa Pressure, Enabling Tunable Band Topology

    by Rohail T.November 15, 2025
  • Quantum Hexaborides Demonstrate Exchange Field Induced Symmetry Breaking in Materials Physics
    Technology News

    Quantum Hexaborides Demonstrate Exchange Field Induced Symmetry Breaking in Materials Physics

    by Rohail T.November 13, 2025
  • Machine Learning and DFT Uncover Drug Adsorption on 2D Graphsene with 0.075 Energy Criterion
    Technology

    Machine Learning and DFT Uncover Drug Adsorption on 2D Graphsene with 0.075 Energy Criterion

    by Rohail T.November 13, 2025
  • Sulfur Substitution Suppresses Auxetic Behavior in Black Phosphorus, Altering Its Mechanical and Electronic Properties
    Emerging Technology

    Sulfur Substitution Suppresses Auxetic Behavior in Black Phosphorus, Altering Its Mechanical and Electronic Properties

    by Rohail T.November 11, 2025
  • Twisted Graphene Bilayers Exhibit Robust Superlubricity with 0.4 eV Corrugations and 0.03 eV Domain Wall Energies
    Technology

    Twisted Graphene Bilayers Exhibit Robust Superlubricity with 0.4 eV Corrugations and 0.03 eV Domain Wall Energies

    by Rohail T.November 10, 2025
  • Atomistic QM/Classical Modeling Accurately Calculates Surface-Enhanced Infrared Absorption Spectra of Adsorbed Molecules
    Quantum Simulation

    Atomistic QM/Classical Modeling Accurately Calculates Surface-Enhanced Infrared Absorption Spectra of Adsorbed Molecules

    by Rohail T.November 10, 2025
  • Lanio Superconductivity: Study Maps Pressure-Dependent Temperature and Reveals Interlayer Pairing in Bilayer Hubbard Model
    Technology News

    Lanio Superconductivity: Study Maps Pressure-Dependent Temperature and Reveals Interlayer Pairing in Bilayer Hubbard Model

    by Rohail T.November 7, 2025
  • Foundation Potential Benchmarking Rivals Quantum Chemistry for Predicting Molecular Redox Potentials in PCET Reactions
    Quantum Machine Learning

    Foundation Potential Benchmarking Rivals Quantum Chemistry for Predicting Molecular Redox Potentials in PCET Reactions

    by Rohail T.November 5, 2025
  • Bonding Character Predicts Huang-Rhys Factors, Circumventing Phonon Calculations for Optically Active Defects
    Quantum Research News

    Bonding Character Predicts Huang-Rhys Factors, Circumventing Phonon Calculations for Optically Active Defects

    by Rohail T.November 5, 2025
  • Electrochemical Electron Transfer: Atomistic Simulations Elucidate Kinetics at Interfaces and Beyond
    Quantum Simulation

    Electrochemical Electron Transfer: Atomistic Simulations Elucidate Kinetics at Interfaces and Beyond

    by Rohail T.November 5, 2025
  • Fe3-xmnxsn2 Kagome Metal Films Demonstrate Tunable Electronic Properties Via Alloying
    Quantum Technology

    Fe₃₋ₓMnₓSn₂ Kagome Metal Films Demonstrate Tunable Electronic Properties via Alloying

    by Rohail T.November 4, 2025
  • Lightpfp: Data-efficient Machine Learning Achieves Ab Initio Accuracy at Scale, Leveraging Universal Potentials for Tailored Simulations
    Quantum Technology

    Lightpfp: Data-efficient Machine Learning Achieves Ab Initio Accuracy at Scale, Leveraging Universal Potentials for Tailored Simulations

    by Rohail T.November 4, 2025
  • Deep Learning Accelerates First-Principles Quantum Transport Simulations Without Manual Feature Engineering
    Technology

    Deep Learning Accelerates First-Principles Quantum Transport Simulations Without Manual Feature Engineering

    by Rohail T.October 30, 2025
  • PtSe₂/Graphene Heterostructures Exhibit 0.55 Interlayer Hybridization, Revealing Minigap Openings with 0.9 π-Band Modulation
    Technology

    PtSe₂/Graphene Heterostructures Exhibit 0.55 Interlayer Hybridization, Revealing Minigap Openings with 0.9 π-Band Modulation

    by Rohail T.October 30, 2025
  • Quantum Monte Carlo Study Reveals Instability of Two-Dimensional Dipolar Fermi Fluids at All Densities
    Quantum Research News

    Quantum Monte Carlo Study Reveals Instability of Two-Dimensional Dipolar Fermi Fluids at All Densities

    by Rohail T.October 24, 2025
  • Computational Study Screens Inhibitors for Area-Selective Atomic Layer Deposition on Amorphous Surfaces
    Emerging Technology, Quantum Research News

    Computational Study Screens Inhibitors for Area-Selective Atomic Layer Deposition on Amorphous Surfaces

    by Rohail T.October 22, 2025
  • Robust Orbital-Selective Flat Bands in NbOCl2 and TaOCl2 Enable Exotic Correlations
    Quantum Research News

    Robust Orbital-Selective Flat Bands in NbOCl2 and TaOCl2 Enable Exotic Correlations

    by Rohail T.October 20, 2025
  • Dft-qed Model Calculates Optical Response of Graphene Quantum Dots, Matching Experimental Results
    Technology

    Dft-qed Model Calculates Optical Response of Graphene Quantum Dots, Matching Experimental Results

    by Rohail T.October 16, 2025
  • Kmnmoo Exhibits Possible Magnon Bose-Einstein Condensation at ~T, Expanding BEC Criticality in High-spin Honeycomb Lattices
    Physics, Quantum Research News

    Kmnmoo Exhibits Possible Magnon Bose-Einstein Condensation at ~T, Expanding BEC Criticality in High-spin Honeycomb Lattices

    by Rohail T.October 15, 2025
  • Quantum Simulation of Carbon Capture in Fe-MOF-74 Reveals DFT Functional Variability and Enables More Accurate Predictions
    Quantum Algorithms, Quantum Research News

    Quantum Simulation of Carbon Capture in Fe-MOF-74 Reveals DFT Functional Variability and Enables More Accurate Predictions

    by Rohail T.October 8, 2025
  • Organic Quantum Chains Demonstrate Robust Energy Gaps and Emergent Hierarchy in Localized States
    Quantum Internet

    Organic Quantum Chains Demonstrate Robust Energy Gaps and Emergent Hierarchy in Localized States

    by Rohail T.October 7, 2025
  • High-pressure DFT Study Reveals Stable BeX (X=S, Se, Te) Phonon Spectra up to 10 GPa for Optoelectronics
    Technology, Quantum Research News

    High-pressure DFT Study Reveals Stable BeX (X=S, Se, Te) Phonon Spectra up to 10 GPa for Optoelectronics

    by Rohail T.October 6, 2025
  • Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction Enables Accurate Modelling Beyond Limitations of Finite Receptive Fields
    Quantum Machine Learning, Quantum Research News

    Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction Enables Accurate Modelling Beyond Limitations of Finite Receptive Fields

    by Rohail T.September 30, 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
  • Cyclo-graphyne: 2D Carbon Allotrope Exhibits Dirac Cones and Thermal Stability up to 1000 K
    Quantum Research News, Technology

    Cyclo-graphyne: 2D Carbon Allotrope Exhibits Dirac Cones and Thermal Stability up to 1000 K

    by Rohail T.September 26, 2025
  • Highly-doped Graphene Exhibits Flattened Conduction Bands and Modified Electronic Structure Via Intercalation
    Quantum Features, Quantum Research News

    Highly-doped Graphene Exhibits Flattened Conduction Bands and Modified Electronic Structure Via Intercalation

    by Rohail T.September 25, 2025
  • H-atom Scattering on Ge(111) Elucidated by Hierarchical Equations of Motion Simulations
    Quantum Research News, Quantum Features

    H-atom Scattering on Ge(111) Elucidated by Hierarchical Equations of Motion Simulations

    by Rohail T.September 24, 2025
  • Michigan Team Advances Density Functional Theory with Machine-Learned Functional
    Quantum Computing Business News

    Michigan Team Advances Density Functional Theory with Machine-Learned Functional

    by Quantum NewsSeptember 18, 2025
  • Machine Learning Force Fields Simulate Large Atomistic Systems, Improving Fidelity for Quantum Qubits and Sensors
    Quantum Sensors

    Machine Learning Force Fields Simulate Large Atomistic Systems, Improving Fidelity for Quantum Qubits and Sensors

    by Quantum NewsSeptember 17, 2025
  • Formalism Constructs Generic Continuum Models for Moiré Superlattices, Applicable to Any Twist Angle
    Quantum Mechanics

    Formalism Constructs Generic Continuum Models for Moiré Superlattices, Applicable to Any Twist Angle

    by Quantum NewsSeptember 16, 2025
  • Boron Nitride Defects Achieve Stable, Addressable Quantum Spins
    Quantum Sensors

    Boron Nitride Defects Achieve Stable, Addressable Quantum Spins

    by Quantum NewsSeptember 14, 2025
  • Van Der Waals Ferromagnets Achieve over 90% Spin Polarization for Enhanced Spintronics
    Quantum Technology

    Van Der Waals Ferromagnets Achieve over 90% Spin Polarization for Enhanced Spintronics

    by Quantum NewsSeptember 10, 2025
  • Kekulé-ordered EU on SiC Creates Replica Dirac Bands with Gap Opening and Strong Exchange Coupling
    Physics

    Kekulé-ordered EU on SiC Creates Replica Dirac Bands with Gap Opening and Strong Exchange Coupling

    by Quantum NewsSeptember 10, 2025
  • Two-dimensional Ferroelectric Alpha-In2Se3 Exhibits Robust Valence Band Inversion at Gamma Point
    Quantum Technology

    Two-dimensional Ferroelectric Alpha-In2Se3 Exhibits Robust Valence Band Inversion at Gamma Point

    by Quantum NewsSeptember 9, 2025
  • Researchers Accurately Predict Phonon Properties in 2,429 Materials Using Universal ML Potentials
    Quantum Machine Learning

    Researchers Accurately Predict Phonon Properties in 2,429 Materials Using Universal ML Potentials

    by Quantum NewsSeptember 5, 2025
  • Researchers Reveal How Pressure Alters Silicon Carbide’s Electronic Gap by 80 meV, Impacting Materials Science
    Quantum Research News

    Researchers Reveal How Pressure Alters Silicon Carbide’s Electronic Gap by 80 meV, Impacting Materials Science

    by Quantum NewsSeptember 3, 2025
  • Researchers Advance Electrocatalyst Design with Grand Canonical Potential-Kinetics Method, Addressing Potential-dependent Capacitance
    Physics

    Researchers Advance Electrocatalyst Design with Grand Canonical Potential-Kinetics Method, Addressing Potential-dependent Capacitance

    by Quantum NewsSeptember 3, 2025
  • Researchers Achieve 17-fold Speed-up in Materials Science with Universal MLIPs and 6% Accuracy
    Artificial Intelligence

    Researchers Achieve 17-fold Speed-up in Materials Science with Universal MLIPs and 6% Accuracy

    by Quantum NewsSeptember 1, 2025
  • Researchers unlock machine learning potential with 120 million atomic configurations for materials discovery
    Machine Learning

    Researchers unlock machine learning potential with 120 million atomic configurations for materials discovery

    by Quantum NewsAugust 30, 2025
  • Mechanical Strain Modulates Hydrogen Desorption in Transition-Metal Intercalated Bilayer Graphene
    Physics

    Mechanical Strain Modulates Hydrogen Desorption in Transition-Metal Intercalated Bilayer Graphene

    by Quantum NewsAugust 18, 2025
  • Random Phase Approximation Improves Accuracy of Transition Metal Oxide Calculations
    Quantum Technology

    Random Phase Approximation Improves Accuracy of Transition Metal Oxide Calculations

    by Quantum NewsAugust 13, 2025
  • Breaking Symmetry Induces Strong Topological Insulating State in Bulk Iron Selenide
    Quantum Research News

    Breaking Symmetry Induces Strong Topological Insulating State in Bulk Iron Selenide

    by Quantum NewsAugust 6, 2025
  • Downscaling 2D Transition Metal Dichalcogenide FETs Reveals Classical-to-Quantum Crossover
    Quantum Research News

    Downscaling 2D Transition Metal Dichalcogenide FETs Reveals Classical-to-Quantum Crossover

    by Quantum NewsAugust 5, 2025
  • First-Principles Model Maps Spin Relaxation in Vanadyl-Based Molecular Qubits
    Quantum Research News

    First-Principles Model Maps Spin Relaxation in Vanadyl-Based Molecular Qubits

    by Quantum NewsJuly 27, 2025
  • Synchrotron Radiation Reveals Molecular Ionisation Dynamics with Spin-Orbit Coupling
    Quantum Research News

    Synchrotron Radiation Reveals Molecular Ionisation Dynamics with Spin-Orbit Coupling

    by Quantum NewsJuly 24, 2025
  • Layer-Dependent Nonlinear Absorption Observed in Two-Dimensional Muscovite Silicate
    Science

    Layer-Dependent Nonlinear Absorption Observed in Two-Dimensional Muscovite Silicate

    by Quantum NewsJuly 23, 2025
  • Machine Learning Surrogates Reduce Carbon Emissions in Photovoltaic Material Screening
    Machine Learning

    Machine Learning Surrogates Reduce Carbon Emissions in Photovoltaic Material Screening

    by Quantum NewsJuly 19, 2025
  • Effective Medium Theory Accurately Models Electron Transport in Nanodevices.
    Technology News

    Effective Medium Theory Accurately Models Electron Transport in Nanodevices.

    by Quantum NewsJuly 14, 2025
  • Van der Waals materials unlock new spintronics and tech possibilities
    Quantum Computing Business News

    Van der Waals materials unlock new spintronics and tech possibilities

    by Quantum NewsJuly 8, 2025
  • Diamond Sensors Enhance Precision Measurement with Graphene Interface.
    Quantum Sensors

    Diamond Sensors Enhance Precision Measurement with Graphene Interface.

    by Quantum NewsJuly 4, 2025
  • Light Control: Engineering Topological States in Solids with Photonic Structures.
    Quantum Technology

    Light Control: Engineering Topological States in Solids with Photonic Structures.

    by Quantum NewsJuly 2, 2025
  • Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training for Materials Science.
    Quantum Technology

    Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training for Materials Science.

    by Quantum NewsJuly 2, 2025
  • Coal Composites’ Electronic Properties Influenced by Structure and Impurities.
    Physics

    Coal Composites’ Electronic Properties Influenced by Structure and Impurities.

    by Quantum NewsJune 29, 2025
  • Entangled Atom Simulation Advances with Correlated Wavefunction Approach for Large Systems.
    Quantum Research News

    Entangled Atom Simulation Advances with Correlated Wavefunction Approach for Large Systems.

    by Quantum NewsJune 26, 2025
  • Accurate Atomic Simulations Demand New Kinetic Energy Density Functionals.
    Physics

    Accurate Atomic Simulations Demand New Kinetic Energy Density Functionals.

    by Quantum NewsJune 24, 2025
  • Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.
    Physics

    Machine Learning Interatomic Potentials Accurately Model Twisted Multilayer Graphene.

    by Quantum NewsJune 19, 2025
  • Machine Learning Interatomic Potentials Refined by Experimental X-ray Data.
    Quantum Machine Learning

    Machine Learning Interatomic Potentials Refined by Experimental X-ray Data.

    by Quantum NewsJune 14, 2025
  • Machine Learning Predicts Material Response to Electric Fields at Million-Atom Scale
    Machine Learning

    Machine Learning Predicts Material Response to Electric Fields at Million-Atom Scale

    by Quantum NewsJune 9, 2025
  • Machine Learning Predicts Ideal Materials for Long-Coherence Quantum Defects.
    Quantum Research News

    Machine Learning Predicts Ideal Materials for Long-Coherence Quantum Defects.

    by Quantum NewsJune 8, 2025
  • Quantum Processor Calculates Ground State Energy of Helium Molecule with High Accuracy Using VQE
    Quantum Research News

    Quantum Processor Calculates Ground State Energy of Helium Molecule with High Accuracy Using VQE

    by Quantum NewsApril 11, 2025
  • Breakthrough in Quantum Computing for Chemically Accurate Simulations
    Quantum Applications

    Breakthrough in Quantum Computing for Chemically Accurate Simulations

    by Quantum NewsNovember 20, 2024
  • Microsoft's Azure Quantum Elements Unveils Generative Chemistry Tool
    Quantum Computing Business News, Drug Discovery

    Microsoft’s Azure Quantum Elements Unveils Generative Chemistry Tool

    by Quantum NewsJune 19, 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 Quantum NewsMay 1, 2024
  • Quantum Leap: Illinois Researchers Develop New Europium Compound for Quantum Memory Storage
    Quantum Research News

    Quantum Leap: Illinois Researchers Develop New Europium Compound for Quantum Memory Storage

    by Quantum NewsMarch 15, 2024
  • Researchers Develop APNet: A Quantum Leap in Predicting Protein-Ligand Interactions
    Quantum Research News

    Researchers Develop APNet: A Quantum Leap in Predicting Protein-Ligand Interactions

    by Quantum NewsFebruary 18, 2024
  • Indiana University Scientist Advances Quantum Computing with New Spin Relaxation Mechanism for Molecular Qubits
    Quantum Research News

    Indiana University Scientist Advances Quantum Computing with New Spin Relaxation Mechanism for Molecular Qubits

    by Quantum NewsFebruary 5, 2024

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