Research Articles
Towards Exact Molecular Dynamics Simulations with Machine-Learned Force Fields
Exploring how machine-learned force fields are revolutionizing molecular dynamics simulations by bridging the gap between accuracy and computational efficiency.
Towards Exact Molecular Dynamics Simulations with Invariant Machine-Learned Models
Exploring how invariant machine-learned models are revolutionizing molecular dynamics simulations, providing unprecedented accuracy in atomic-level modeling.
When Equations Meet Elements: The Mathematical Revolution Reshaping Chemistry
Explore how mathematics is solving chemistry's most complex challenges through machine learning, quantum calculations, and massive datasets like OMol25.
When Molecules Come to Life: How Computer Simulations are Unlocking Chemical Secrets
Explore how reactive molecular dynamics simulations combined with machine learning are revolutionizing our understanding of chemical reactions at the atomic level.
Machine Learning-Driven Quantum Sequencing of Natural and Chemically Modified DNA
Explore how quantum physics and machine learning are revolutionizing DNA sequencing to detect chemical modifications with unprecedented accuracy.
Cracking the Crystal Code: How Math and Machine Learning Are Predicting Tomorrow's Wonder Materials
Discover how Fourier transforms and AI are revolutionizing perovskite materials discovery through Conv2D-SVM models.