Dinner, Aaron R.
- Machine learning force fields and coarse-grained variables in molecular\n dynamics: application to materials and biological systems
2020/04/15 by Paraskevi Gkeka, Gabriel Stoltz, Gkeka, Paraskevi +31 · 6 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
- Long-timescale predictions from short-trajectory data: A benchmark analysis of the trp-cage miniprotein
2020/09/08 by Strahan, John, Antoszewski, Adam, Lorpaiboon, Chatipat +3 · 3 citations
#Biomolecules (q-bio.BM) #Computational Physics (physics.comp-ph) #Data Analysis #FOS: Biological sciences #FOS: Physical sciences #Statistics and Probability (physics.data-an)
- 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
- Limits on the computational expressivity of non-equilibrium biophysical processes
2024/09/09 by Floyd, Carlos, Dinner, Aaron R., Murugan, Arvind +1 · 4 citations
#Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Biological sciences #FOS: Physical sciences #Molecular Networks (q-bio.MN) #Statistical Mechanics (cond-mat.stat-mech)
- Transformers are efficient hierarchical chemical graph learners
2023/10/02 by Zihan Pengmei, Zimu Li, Pengmei, Zihan +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, Shivers, Jordan L., Michael Nguyen +7 · 2 voices · 1 citation
Physics and Astronomy · #cond-mat.soft #physics.bio-ph
- Elucidating the Role of Filament Turnover in Cortical Flow using Simulations and Representation Learning
2023/10/16 by Yuqing Qiu, Qiu, Yuqing, Elizabeth D. White +7 · 1 citation
Medicine · Neuroscience · Physics and Astronomy · #Advanced Neuroimaging Techniques and Applications #FOS: Physical sciences #Functional Brain Connectivity Studies #Micro and Nano Robotics #Soft Condensed Matter (cond-mat.soft)
- Characterizing Nonlinear Dynamics by Contrastive Cartography
2025/01/30 by Nicolas Romeo, Chris Chi, Romeo, Nicolas +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, Aaron R. Dinner, Floyd, Carlos +3 · 1 voice · 1 citation
Engineering · Physics and Astronomy · #Advanced Materials and Mechanics #Micro and Nano Robotics #cond-mat.soft