Tag: Interatomic potential

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Recent Related Articles to Interatomic potential

Deep Learning Discovers Millions Of New Materials (Google) - Semiconductor Engineering

Added to Collection on: 2023-12-06 20:52:03

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Emerging technologies
Deep learning
Applied machine learning
Condensed matter physics
Materials science
Google DeepMind
Interatomic potential
Artificial intelligence

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SMU Chemist Leads in Creating Machine Learning Model for Atoms | Mirage News

Added to Collection on: 2024-03-13 19:00:33

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Chemistry
Origin of life
Chemical physics
Physical chemistry
Interatomic potential
Miller–Urey experiment
Molecule
Abiogenesis
Amino acid
Quantum chemistry
Theoretical chemistry
Los Alamos

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Artificial intelligence helps explore chemistry frontiers - EurekAlert!

Added to Collection on: 2024-03-21 20:58:29

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Molecular modelling
Materials science
Computational chemistry
Intermolecular forces
Molecular physics
Interatomic potential
Force field
Molecular dynamics
Nanoreactor
Machine learning potential
Simulation
Chemistry
Ani

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Artificial Intelligence Helps Explore Chemistry Frontiers - Los Alamos Daily Post

Added to Collection on: 2024-03-24 16:41:57

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Molecular modelling
Materials science
Intermolecular forces
Molecular physics
Computational physics
Interatomic potential
Force field
Molecular dynamics
Nanoreactor
Machine learning potential
Simulation
Los Alamos National Laboratory
Ani

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Online test-time adaptation for better generalization of interatomic potentials to out-of-distribution data

Added to Collection on: 2025-02-22 19:21:01

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Machine learning
Materials science
Generative artificial intelligence
Self-supervised learning
Supervised learning
Interatomic potential

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Artificial Intelligence Accelerates Molecular Vibration Analysis, Study Finds

Added to Collection on: 2025-07-01 18:59:43

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Spectroscopy
Scientific techniques
Infrared spectroscopy
Molecular vibration
Interatomic potential
Vibrational spectroscopic map
Draft:Roman Balabin

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Gradient Optimisation Accelerates Machine Learning Interatomic Potential Training For ...

Added to Collection on: 2025-07-02 15:12:53

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Materials science
Interatomic potential
Computational chemistry
Molecular modelling
Molecular dynamics
Neuroevolution
Density functional theory
International Framework for Nuclear Energy Cooperation
Yield
Machine learning

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Machine Learning Reveals Oxygen's Role In Strontium Titanate Ferroelectricity

Added to Collection on: 2025-08-17 21:28:25

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Ferroelectric materials
Perovskites
Ceramic materials
Phases of matter
Condensed matter physics
Strontium titanate
Ferroelectricity
Dielectric
Strontium
Interatomic potential
Quantum paraelectricity
Burns temperature

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Researchers Unlock Machine Learning Potential With 120 Million Atomic Configurations For ...

Added to Collection on: 2025-08-30 14:00:55

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Materials science
Machine learning
Molecular modelling
Interatomic potential
Machine-learned interatomic potential
Molecular dynamics
Density functional theory

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Researchers Achieve 17-fold Speed-up In Materials Science With Universal MLIPs And 6% Accuracy

Added to Collection on: 2025-09-01 20:37:46

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Materials science
Computational physics
Machine learning
Molecular modelling
Machine-learned interatomic potential
Interatomic potential
Density functional theory
Molecular dynamics
Neural network
Computational materials science
MLIP
Shyue Ping Ong

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