Molecular Dynamics - Artificial Intelligence News Briefing

Browsing: Molecular Dynamics

Rapid And Accurate Predictions Of Perfect And Defective Material Properties In Atomistic Simulation Using The Power Of 3d Cnn-based Trained Artificial Neural Networks

Machine Learning January 2, 2024

This article introduces an innovative approach that utilizes machine learning (ML) to address the computational challenges of accurate atomistic simulations in materials science. Focusing…

Predictive Scale-bridging Simulations Through Active Learning

Deep Learning Machine Learning September 27, 2023

This paper presents an integrated, multi-disciplinary framework for Active Learning (AL) enabled scale-bridging approach. This approach is demonstrated through two exemplar applications, Inertial Confinement…

Designing Architected Materials For Mechanical Compression Via Simulation, Deep Learning, And Experimentation

Genetic Algorithms Machine Learning May 26, 2023

This article presents a workflow for the design of architected honeycomb materials, utilizing simulation to determine insights into the space of hierarchical honeycomb lattices,…

Subscribe to Updates

Browsing: Molecular Dynamics

Rapid And Accurate Predictions Of Perfect And Defective Material Properties In Atomistic Simulation Using The Power Of 3d Cnn-based Trained Artificial Neural Networks

Predictive Scale-bridging Simulations Through Active Learning

Designing Architected Materials For Mechanical Compression Via Simulation, Deep Learning, And Experimentation