Aaron R. Dinner
- Machine learning force fields and coarse-grained variables in molecular\n dynamics: application to materials and biological systems
2020/04/15 by Paraskevi Gkeka, Gkeka, Paraskevi, Gabriel Stoltz +31 · 5 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Biomolecules (q-bio.BM) #Computational Physics (physics.comp-ph) #FOS: Biological sciences #FOS: Physical sciences #Machine Learning in Materials Science #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics
- Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
2025/01/28 by Zihan Pengmei, Chatipat Lorpaiboon, Spencer C. Guo +2 · 1 voice · 5 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics
2024/09/30 by Zihan Pengmei, Chatipat Lorpaiboon, Pengmei, Zihan +7 · 6 citations
Engineering · #Astronomical Observations and Instrumentation
- Transformers are efficient hierarchical chemical graph learners
2023/10/02 by Zihan Pengmei, Pengmei, Zihan, Zimu Li +7 · 2 citations
Computer Science · Materials Science · #Advanced Graph Neural Networks #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science
- Renormalized mechanics and stochastic thermodynamics of growing vesicles
2025/03/31 by Jordan L. Shivers, Michael Nguyen, Shivers, Jordan L. +7 · 2 voices · 1 citation
Physics and Astronomy · #cond-mat.soft #physics.bio-ph
- Characterizing Nonlinear Dynamics by Contrastive Cartography
2025/01/30 by Nicolas Romeo, Romeo, Nicolas, Chris Chi +5 · 2 citations
Earth and Planetary Sciences · #Geological Modeling and Analysis
- Tailoring interactions between active nematic defects with reinforcement learning
2024/11/14 by Carlos Floyd, Floyd, Carlos, Aaron R. Dinner +3 · 1 voice · 1 citation
Engineering · Physics and Astronomy · #Advanced Materials and Mechanics #Micro and Nano Robotics #cond-mat.soft
- Nuclear Quantum Effects as a Denoising Problem
2026/07/22 by Weizhou Wang, Jonathan Weare, Aaron R. Dinner
#physics.chem-ph #cond-mat.stat-mech #cs.LG #physics.comp-ph #quant-ph