most citedOn Consistent Definitions of Momentum and Energy Fluxes for Molecular Dynamics Models with Multi-body Interatomic Potentials

7 citations · 9 across the 5 of their papers we have counts for

collaborators

5 papers

quant-ph2023

Stochastic Quantum Sampling for Non-Logconcave Distributions and Estimating Partition Functions

Guneykan Ozgul, Xiantao Li, Mehrdad Mahdavi +1

We present quantum algorithms for sampling from non-logconcave probability distributions in the form of . Here, can be written as a finite sum $f(x):…

quant-ph20232 cited

Implementation of the Density-functional Theory on Quantum Computers with Linear Scaling with respect to the Number of Atoms

Taehee Ko, Xiantao Li, Chunhao Wang

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculat…

quant-ph2023

Quantum Simulation for Partial Differential Equations with Physical Boundary or Interface Conditions

Shi Jin, Xiantao Li, Nana Liu +1

This paper explores the feasibility of quantum simulation for partial differential equations (PDEs) with physical boundary or interface conditions. Semi-discretisation of such prob…

quant-ph2023

Quantum Simulation for Quantum Dynamics with Artificial Boundary Conditions

Shi Jin, Nana Liu, Xiantao Li +1

Quantum dynamics, typically expressed in the form of a time-dependent Schrödinger equation with a Hermitian Hamiltonian, is a natural application for quantum computing. However, wh…

cond-mat.mtrl-sci20147 cited

On Consistent Definitions of Momentum and Energy Fluxes for Molecular Dynamics Models with Multi-body Interatomic Potentials

Xiaojie Wu, Xiantao Li

In this paper, we propose a two-level criteria to check the consistency of the definitions of continuum quantities in Molecular Dynamics. As examples, we follow the control- volume…