:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Li, Yunting, Cui, Xiaopeng, Xiong, Zhaoping, Zou, Zuoheng, Liu, Bowen, Wang, Bi-Ying, Shu, Runqiu, Zhu, Huangjun, Qiao, Nan, Yung, Man-Hong
Format:	Preprint
Published:	2024
Subjects:	Quantum Physics Chemical Physics
Online Access:	https://arxiv.org/abs/2404.14101
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Quantum molecular docking with quantum-inspired algorithm
by: Li, Yunting, et al.
Published: (2024)

Quantum-Inspired Machine Learning for Molecular Docking
by: Shu, Runqiu, et al.
Published: (2024)

The impact of conformer quality on learned representations of molecular conformer ensembles
by: Adams, Keir, et al.
Published: (2025)

Collisional alignment and molecular rotation control chemi-ionization of individual conformers
by: Ploenes, L., et al.
Published: (2024)

First principles prediction of wavelength-dependent isomerization quantum yields of a second-generation molecular nanomotor
by: Lucia-Tamudo, Jesús, et al.
Published: (2025)

Vib2Conf: AI-driven discrimination of molecular conformations from vibrational spectra
by: Lu, Xin-Yu, et al.
Published: (2026)

Dissipative quantum algorithms for excited-state quantum chemistry
by: Li, Hao-En, et al.
Published: (2025)

Variational quantum algorithm for non-Markovian quantum dynamics
by: Walters, Peter L., et al.
Published: (2024)

Multidimensional semiclassical single- and double-quantum spectroscopy of anharmonic molecular polaritons
by: Reitz, Michael, et al.
Published: (2026)

Classifying destructive quantum interference in molecular junctions: Towards molecular quantum rulers
by: Krieger, Lukas, et al.
Published: (2025)

TriDS: AI-native molecular docking framework unified with binding site identification, conformational sampling and scoring
by: Liu, Xuhan, et al.
Published: (2025)

Efficient algorithms for quantum chemistry on modular quantum processors
by: Xue, Tian, et al.
Published: (2025)

Complete quantum-inspired framework for computational fluid dynamics
by: Peddinti, Raghavendra D., et al.
Published: (2023)

Universal and Efficient Quantum State Verification via Schmidt Decomposition and Mutually Unbiased Bases
by: Li, Yunting, et al.
Published: (2025)

Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics
by: Moqvist, Selma, et al.
Published: (2024)

Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows
by: Huang, Benchen, et al.
Published: (2024)

A hybrid quantum algorithm to detect conical intersections
by: Koridon, Emiel, et al.
Published: (2023)

Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
by: Li, Jingjing, et al.
Published: (2025)

Generalized quantum master equation from memory kernel coupling theory
by: Bi, Rui-Hao, et al.
Published: (2026)

Tracing long-lived atomic coherences generated via molecular conical intersections
by: Rupprecht, Patrick, et al.
Published: (2025)

Hamiltonian-based graph-state ansatz for variational quantum algorithms
by: Anand, Abhinav, et al.
Published: (2023)

Simulating open-system molecular dynamics on analog quantum computers
by: Olaya-Agudelo, V. C., et al.
Published: (2024)

Numerical investigation of the quantum inverse algorithm on small molecules
by: Cainelli, Mauro, et al.
Published: (2024)

Mamba-driven multi-perspective structural understanding for molecular ground-state conformation prediction
by: Gou, Yuxin, et al.
Published: (2025)

Variational simulation of $d$-level systems on qubit-based quantum simulators
by: Lyu, Chufan, et al.
Published: (2024)

Physics-informed generative model for drug-like molecule conformers
by: Williams, David C., et al.
Published: (2024)

Characteristics of mono-, di-, and trivalent cations in electric double layers: a molecular dynamic investigation
by: Ai, Bowen, et al.
Published: (2025)

Time-dependent ab__initio molecular-orbital decomposition for high-harmonic generation spectroscopy
by: Marchetta, Marco, et al.
Published: (2025)

Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers
by: Ziems, Karl Michael, et al.
Published: (2024)

Classical and quantum light-induced non-adiabaticity in molecular systems
by: Fábri, Csaba, et al.
Published: (2024)

Moments-based quantum computation of the electric dipole moment of molecular systems
by: Jones, Michael A., et al.
Published: (2025)

Subspace methods for the simulation of molecular response properties on a quantum computer
by: Reinholdt, Peter, et al.
Published: (2024)

Time resolved quantum tomography in molecular spectroscopy by the Maximal Entropy Approach
by: Makhija, Varun, et al.
Published: (2024)

Molecular docking via quantum approximate optimization algorithm
by: Ding, Qi-Ming, et al.
Published: (2023)

Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
by: Jayee, Bhumika, et al.
Published: (2026)

Identification of molecular quantum states using phase-sensitive forces
by: Najafian, Kaveh, et al.
Published: (2020)

GPU acceleration of ab initio simulations of large-scale identical particles based on path integral molecular dynamics
by: Xiong, Yunuo
Published: (2024)

An evaluation of unconditional 3D molecular generation methods
by: Buttenschoen, Martin, et al.
Published: (2025)

Entanglement and photoelectron holography in dissociative photoionization: molecular quantum eraser
by: Hell, Sebastian, et al.
Published: (2026)

Chemical tuning of quantum spin-electric coupling in molecular nanomagnets
by: Vaganov, Mikhail V., et al.
Published: (2024)