activity
20182020
most citedStochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models

1 citations · 1 across the 2 of their papers we have counts for

collaborators

8 papers

quant-ph2020

Time-dependent unbounded Hamiltonian simulation with vector norm scaling

Dong An, Di Fang, Lin Lin

The accuracy of quantum dynamics simulation is usually measured by the error of the unitary evolution operator in the operator norm, which in turn depends on certain norm of the Ha…

quant-ph2020

Quantum-accelerated multilevel Monte Carlo methods for stochastic differential equations in mathematical finance

Dong An, Noah Linden, Jin-Peng Liu +3

Inspired by recent progress in quantum algorithms for ordinary and partial differential equations, we study quantum algorithms for stochastic differential equations (SDEs). Firstly…

math.NA2020

Towards sharp error analysis of extended Lagrangian molecular dynamics

Dong An, Lin Lin, Michael Lindsey

The extended Lagrangian molecular dynamics (XLMD) method provides a useful framework for reducing the computational cost of a class of molecular dynamics simulations with constrain…

physics.comp-ph20201 cited

Stochastic Constrained Extended System Dynamics for Solving Charge Equilibration Models

Songchen Tan, Itai Leven, Dong An +2

We present a new stochastic extended Lagrangian solution to charge equilibration that eliminates self-consistent field (SCF) calculations, eliminating the computational bottleneck…

physics.comp-ph2020

Split representation of adaptively compressed polarizability operator

Dong An, Lin Lin, Ze Xu

The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The co…

math.NA2019

Convergence of Stochastic-extended Lagrangian molecular dynamics method for polarizable force field simulation

Dong An, Sara Y. Cheng, Teresa Head-Gordon +2

Extended Lagrangian molecular dynamics (XLMD) is a general method for performing molecular dynamics simulations using quantum and classical many-body potentials. Recently several n…