152 citations · 506 across the 51 of their papers we have counts for
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A Parameter Estimation Method Using Linear Response Statistics
John Harlim, Xiantao Li, He Zhang
This paper presents a new parameter estimation method for Itô diffusions such that the resulting model predicts the equilibrium statistics as well as the sensitivities of the under…
Data-driven parameterization of the generalized Langevin equation
Huan Lei, Nathan Baker, Xiantao Li
We present a data-driven approach to determine the memory kernel and random noise in generalized Langevin equations. To facilitate practical implementations, we parameterize the ke…
From Generalized Langevin Equations to Brownian Dynamics and Embedded Brownian Dynamics
Lina Ma, Xiantao Li, Chun Liu
We present the reduction of generalized Langevin equations to a coordinate-only stochastic model, which in its exact form, involves a forcing term with memory and a general Gaussia…
PEXSI-: A Green's function embedding method for Kohn-Sham density functional theory
Xiantao Li, Lin Lin, Jianfeng Lu
In this paper, we propose a new Green's function embedding method called PEXSI- for describing complex systems within the Kohn-Sham density functional theory (KSDFT) framework,…
The Derivation and Approximation of Coarse-grained Dynamics from Langevin Dynamics
Lina Ma, Xiantao Li, Chun Liu
We present a derivation of a coarse-grained model from the Langevin dynamics. The focus is placed on the memory kernel function and the fluctuation-dissipation theorem. Also presen…