Tag: Density functional theory

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New Computational Tool Could Help Design Futuristic Jet Engine Turbines

Added to Collection on: 2021-04-12 18:33:45

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Physical sciences
Natural sciences
Classical mechanics
Materials science
State functions
Temperature
Engines
Condensed matter physics
Density functional theory
Ceramic
Absolute zero
Gas turbine
Raymundo Arróyave

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New framework applies machine learning to atomistic modeling

Added to Collection on: 2021-07-21 19:07:30

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Physical sciences
Academic disciplines
Natural sciences
Materials science
Computational physics
Interatomic potential
Argonne National Laboratory
Density functional theory
Center for Nanoscale Materials
Plasticity
Mechanical engineering
Strengthening mechanisms of materials

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DeepMind AI tackles one of chemistry's most valuable techniques - Nature

Added to Collection on: 2021-12-11 01:35:38

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Physical sciences
Natural sciences
Chemistry
Theoretical chemistry
Quantum chemistry
Molecular physics
Density functional theory
Chemical bonding
Computational chemistry
DeepMind
Molecule
Electron
Anatole von Lilienfeld

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Quantum Complexity Tamed by Machine Learning | Quanta Magazine

Added to Collection on: 2022-02-07 20:27:12

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Physical sciences
Natural sciences
Chemistry
Density functional theory
Theoretical chemistry
Computational chemistry
John Perdew
Quantum chemistry
Orbital-free density functional theory
Local-density approximation
Aron Cohen

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Ames Lab, Texas A&M team develop AI tool for discovery and prediction of new rare-earth ...

Added to Collection on: 2022-03-20 09:04:49

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Articles
Academic disciplines
Cybernetics
Drug discovery
Artificial intelligence
Computational neuroscience
Machine learning
Ames Laboratory
Laboratory
Density functional theory
ML
Abiogenesis

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DeepMind feuds with Russian scientists over quantum AI research - TheNextWeb

Added to Collection on: 2022-08-17 04:19:13

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Articles
Academic disciplines
Physics
Computational neuroscience
Emerging technologies
Game artificial intelligence
Alphabet Inc.
Deep learning
DeepMind
Density functional theory
Artificial intelligence
Quantum mechanics

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Exploration of the mechanical properties of carbon-incorporated amorphous silica using a ...

Added to Collection on: 2024-02-22 12:37:25

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Theoretical chemistry
Computational chemistry
Computational neuroscience
Market research
Mathematical psychology
Neural network
Ab initio quantum chemistry methods
Interatomic potential
Density functional theory

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Researchers Reveal New Method For Calculating Mechanical Pro | Scoop News

Added to Collection on: 2024-03-25 11:33:55

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Crystals
Condensed matter physics
Metallurgy
Building engineering
Materials science
Skolkovo Institute of Science and Technology
Density functional theory
Amorphous solid
Tungsten
Single crystal

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Microsoft Integrates HPC, Quantum Computing, and AI for Chemical Reactions Study

Added to Collection on: 2024-09-10 19:37:17

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Quantum computing
Quantinuum
Physical and logical qubits
Density functional theory
Qubit
Quantum simulator
Draft:Microsoft Azure Quantum
Quantum programming
Microsoft

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Meta AI Releases Meta's Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models

Added to Collection on: 2024-10-20 20:10:26

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Computational neuroscience
Bioinspiration
Market research
Mathematical psychology
Neural network
Artificial intelligence
Density functional theory
Molecular dynamics

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