6 papers
Deep Mesoscopic Dynamics
Yue Zhao, Shiqi Wu, Yihang Ouyang +6
Microscopic simulations resolve spatial patterns but are feasible only over small domains and short timescales, whereas bulk descriptions erase those patterns through spatial avera…
Interfacial melting as a thermodynamic indicator of solid-state synthesizability
Zihan Zhang, Mengyi Chen, Qianxiao Li +1
Computational materials discovery commonly ranks candidate materials by their thermodynamic stability on the formation energy convex hull, yet many predicted-stable phases resist s…
Learning Permutation-invariant Macroscopic Dynamics
Zhichao Han, Mengyi Chen, Qianxiao Li
Accurately modeling the macroscopic dynamics of high-dimensional microscopic systems is of broad interest across the sciences. Many data-driven approaches learn a low-dimensional l…
Hypothesis-driven construction of mesoscopic dynamics
Zhuoyuan Li, Aiqing Zhu, Qianxiao Li
Traditional scientific modeling typically begins with fixed, instance-wise effective equations and then carries out equation-specific analysis and computation, a procedure that bec…
Scalable learning of macroscopic stochastic dynamics
Mengyi Chen, Pengru Huang, Kostya S. Novoselov +1
Macroscopic dynamical descriptions of complex physical systems are crucial for understanding and controlling material behavior. With the growing availability of data and compute, m…
Learning Macroscopic Dynamics from Partial Microscopic Observations
Mengyi Chen, Qianxiao Li
Macroscopic observables of a system are of keen interest in real applications such as the design of novel materials. Current methods rely on microscopic trajectory simulations, whe…