152 citations · 506 across the 51 of their papers we have counts for
5 papers · 1 filter
Estimating linear response statistics using orthogonal polynomials: An RKHS formulation
He Zhang, John Harlim, Xiantao Li
We study the problem of estimating linear response statistics under external perturbations using time series of unperturbed dynamics. Based on the fluctuation-dissipation theory, t…
Data-driven molecular modeling with the generalized Langevin equation
Francesca Grogan, Huan Lei, Xiantao Li +1
The complexity of molecular dynamics simulations necessitates dimension reduction and coarse-graining techniques to enable tractable computation. The generalized Langevin equation…
Exponential Integrators for Stochastic Schrödinger Equation
Jingze Li, Xiantao Li
We present a class of exponential integrators to compute solutions of the stochastic Schrödinger equation arising from the modeling of open quantum systems. In order to be able to…
A reduced-order modeling approach for electron transport in molecular junctions
Weiqi Chu, Xiantao Li
To describe non-equilibrium transport processes in a quantum device with infinite baths, we propose to formulate the problems as a reduced-order problem. Starting with the Liouvill…
Linear Response Based Parameter Estimation in the Presence of Model Error
He Zhang, John Harlim, Xiantao Li
Recently, we proposed a method to estimate parameters of stochastic dynamics based on the linear response statistics. The method rests upon a nonlinear least-squares problem that t…