Jonathan Vandermause

1. On-the-Fly Active Learning of Interpretable Bayesian Force Fields for\n Atomistic Rare Events
   2019/04/03 by Jonathan Vandermause, Steven B. Torrisi, Vandermause, Jonathan +11 · 15 citations
   Computer Science · Materials Science · #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Gaussian Processes and Bayesian Inference #Machine Learning and Algorithms #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
2. Multitask machine learning of collective variables for enhanced sampling of rare events
   2020/12/07 by Lixin Sun, Sun, Lixin, Jonathan Vandermause +11 · 5 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantum many-body systems
3. Uncertainty-aware molecular dynamics from Bayesian active learning for Phase Transformations and Thermal Transport in SiC
   2022/03/08 by Yu Xie, Xie, Yu, Jonathan Vandermause +9 · 5 citations
   Computer Science · Materials Science · #Computational Drug Discovery Methods #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning and Algorithms #Machine Learning in Materials Science
4. Uncertainty Driven Active Learning of Coarse Grained Free Energy Models
   2022/10/28 by Blake Duschatko, Duschatko, Blake R., Jonathan Vandermause +5 · 4 citations
   Biochemistry, Genetics and Molecular Biology · Materials Science · #Block Copolymer Self-Assembly #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Protein Structure and Dynamics
5. Phase discovery with active learning: Application to structural phase transitions in equiatomic NiTi
   2024/01/10 by Jonathan Vandermause, Vandermause, Jonathan, Anders Johansson +7 · 1 citation
   Materials Science · Physics and Astronomy · #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Force Microscopy Techniques and Applications #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Shape Memory Alloy Transformations