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20142024
most citedOn Consistent Definitions of Momentum and Energy Fluxes for Molecular Dynamics Models with Multi-body Interatomic Potentials

7 citations · 10 across the 6 of their papers we have counts for

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quant-ph2025

Quantum Regression Theory and Efficient Computation of Response Functions for Non-Markovian Open Systems

Xiantao Li, Chunhao Wang

Linear response functions are a cornerstone concept in physics as they enable efficient estimation of many dynamical properties. In addition to predicting dynamics of observables u…

quant-ph2025

Exponential Quantum Speedup for Simulating Classical Lattice Dynamics

Xiantao Li

Simulating large scale lattice dynamics directly is computationally demanding due to the high complexity involved, yet such simulations are crucial for understanding the mechanical…

quant-ph20241 cited

Structure-preserving quantum algorithms for linear and nonlinear Hamiltonian systems

Hsuan-Cheng Wu, Xiantao Li

Hamiltonian systems of ordinary and partial differential equations are fundamental mathematical models spanning virtually all physical scales. A critical property for the robustnes…

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…