Tag: Molecular dynamics

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Recent Related Articles to Molecular dynamics

Computational approaches to drug design | Drug Discovery News

Added to Collection on: 2025-06-13 14:54:53

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Molecular modelling
Computational chemistry
Molecular dynamics
Simulation

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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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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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AI Reveals Secrets of Nature's Tough Protein Bonds - Mirage News

Added to Collection on: 2025-09-11 20:51:24

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Bioinformatics
Molecular biology
Computational chemistry
Chemical bonding
Biotechnology
Biomaterial
Biophysics
Synthetic biology
Hydrogen bond
Molecular dynamics
Protein
Mechanobiology
Rafael Bernardi

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Pushing charge equilibration-based machine learning potentials to their limits - Nature

Added to Collection on: 2025-09-16 20:01:57

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Computational chemistry
Chemical properties
Chemical bonding
Electric charge
Partial charge
Molecular modelling
Electronegativity
Electron
Molecular dynamics

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The bonds that grow stronger the more they're pulled apart - BioTechniques

Added to Collection on: 2025-09-18 23:59:17

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Computational neuroscience
Bioinformatics
Chemical bonding
Cybernetics
Biotechnology
Biomaterial
Artificial intelligence
Synthetic biology
Hydrogen bond
Protein
Molecular dynamics
Artificial general intelligence

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AI tensor network-based computational framework cracks a 100-year-old physics challenge

Added to Collection on: 2025-09-30 01:26:48

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Statistical mechanics
Computational chemistry
Computational physics
Condensed matter physics
Thermodynamics
Molecular dynamics
Monte Carlo method
Materials science
Los Alamos National Laboratory

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Order from Disordered Proteins | News | Northwestern Engineering

Added to Collection on: 2025-10-08 02:25:51

Tags for this article:

Protein structure
Applied machine learning
Bioinformatics
Proteomics
Biotechnology
AlphaFold
Intrinsically disordered proteins
Synthetic biology
Protein
Molecular dynamics
Google DeepMind
Liquid–liquid phase separation sequence-based predictors

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Rare earth stocks soar after JPMorgan announces $10 billion investment plan in sector ...

Added to Collection on: 2025-10-13 13:32:50

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Quantum computing
IonQ
Molecular dynamics
Rigetti Computing
Draft:Niccolo de Masi

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