14 citations · 42 across the 12 of their papers we have counts for
6 papers · 1 filter
A Projection-based Reduced-order Method for Electron Transport Problems with Long-range Interactions
Weiqi Chu, Xiantao Li
Long-range interactions play a central role in electron transport. At the same time, they present a challenge for direct computer simulations, since sufficiently large portions of…
Random Batch Algorithms for Quantum Monte Carlo simulations
Shi Jin, Xiantao Li
Random batch algorithms are constructed for quantum Monte Carlo simulations. The main objective is to alleviate the computational cost associated with the calculations of two-body…
Markovian Embedding Procedures for Non-Markovian Stochastic Schrödinger Equations
Xiantao Li
We present embedding procedures for the non-Markovian stochastic Schrödinger equations, arising from studies of quantum systems coupled with bath environments. By introducing auxil…
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…
Stable absorbing boundary conditions for molecular dynamics in general domains
Xiaojie Wu, Xiantao Li
A new type of absorbing boundary conditions for molecular dynamics simulations are presented. The exact boundary conditions for crystalline solids with harmonic approximation are e…