Latest Research in Machine Learning in Materials Science
6 research papers · 2026 median publication year
Top Research Topics in Machine Learning in Materials Science
- Protein Structure and Dynamics — 3 papers
- Machine Learning in Materials Science — 1 papers
- Soft Condensed Matter — 1 papers
- Biomolecules — 1 papers
Highest-Cited Papers
- Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling.
- Bridging Visual Intuition and Chemical Expertise: A Virtual Collaborative Framework for Autonomous Nonadiabatic Dynamics Analysis
- Convergence Mechanisms of Generative Models in Molecular Conformational Sampling
- Benchmarking Generative AI and Physics-Based Molecular Simulation for Sampling Conformational Heterogeneity in T4 Lysozyme
- MesoMem: A mesoscale membrane model based on an additive potential
- PHASE: encoding global protein ensembles with local Hamiltonians and all-atom backmapping