182 citations · 640 across the 15 of their papers we have counts for
15 papers
Asymmetric Energy Landscapes Control Diffusion in Glasses
Ajay Annamareddy, Bu Wang, Paul M. Voyles +2
While diffusion in crystalline solids is quantitatively understood through defect-mediated atomic hops, no comparable quantitative framework exists for glasses. In these systems, t…
Physical regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction
Qiyuan Chen, Ajay Annamareddy, Ying-Fei Li +2
Disordered materials such as glasses, unlike crystals, lack long range atomic order and have no periodic unit cells, yielding a high dimensional configuration space with widely var…
Silk-Nano-Fibroin Aerogels: A Bio-Derived, Amine-Rich Platform for Rapid and Reversible CO2 Capture
Md Sariful Sheikh, Lijie Guo, Qiyuan Chen +1
Despite growing interest in bio-based materials, rapid, low-temperature CO2 capture using amine-rich natural sorbents has received limited attention. In recent years, various porou…
How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matching
Zheng Yu, Ajay Annamareddy, Dane Morgan +1
In this work, we propose a linear machine learning force matching approach that can directly extract pair atomic interactions from ab initio calculations in amorphous structures. T…
Distribution of atomic rearrangement vectors in a metallic glass
Ajay Annamareddy, Bu Wang, Paul M. Voyles +1
Short-timescale atomic rearrangements are fundamental to the kinetics of glasses and frequently dominated by one atom moving significantly (a rearrangement), while others relax onl…
Understanding the fragile-to-strong transition in silica from microscopic dynamics
Zheng Yu, Dane Morgan, M. D. Ediger +1
In this work, we revisit the fragile-to-strong transition (FTS) in the simulated BKS silica from the perspective of microscopic dynamics in an effort to elucidate the dynamical beh…