Cover Image

Simulation of a Diels-Alder Reaction on a Quantum Computer

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Liepuoniute, Ieva, Motta, Mario, Pellegrini, Thaddeus, Rice, Julia E., Gujarati, Tanvi P., Gil, Sofia, Jones, Gavin O.
Format:	Preprint
Published:	2024
Subjects:	Quantum Physics Chemical Physics Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Sample-based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
by: Shivpuje, Saurabh, et al.
Published: (2025)

Symmetry-based perturbation theory for electronic structure calculations
by: Nishimura, Hiromichi, et al.
Published: (2026)

Quantum-Centric Study of Methylene Singlet and Triplet States
by: Liepuoniute, Ieva, et al.
Published: (2024)

Sample-based quantum diagonalization as parallel fragment solver for the localized active space self-consistent field method
by: Wang, Qiaohong, et al.
Published: (2025)

Quantum Simulations of Chemical Reactions: Achieving Accuracy with NISQ Devices
by: Sarkar, Maitreyee, et al.
Published: (2025)

Accelerating Fermionic System Simulation on Quantum Computers
by: Li, Qing-Song, et al.
Published: (2025)

Insights into the Mechanism, Selectivity, and Substituent Effects in the Diels-Alder Reaction of Azatrienes with Electron-rich Dienophiles: An MEDT Study
by: Rafik, Amine, et al.
Published: (2024)

Can a Quantum Computer Simulate Nuclear Magnetic Resonance Spectra Better than a Classical One?
by: Fratus, Keith R., et al.
Published: (2025)

Simulation of Atomic Layer Deposition with a Quantum Computer
by: Plekhanov, Evgeny, et al.
Published: (2025)

Simulating Non-Markovian Quantum Dynamics on NISQ Computers Using the Hierarchical Equations of Motion
by: Dan, Xiaohan, et al.
Published: (2024)

Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
by: Di Paola, Cono, et al.
Published: (2023)

Quantum Walks for Chemical Reaction Networks
by: Hariharan, Seenivasan, et al.
Published: (2025)

Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer
by: Schleich, Philipp, et al.
Published: (2024)

Theoretical Exploration of the Diene-Transmissive Hetero-Diels-Alder Strategy Toward Boron-Functionalized Octahydroquinolines
by: Rafik, Amine, et al.
Published: (2025)

Distributed Quantum Computing for Chemical Applications
by: Jones, Grier M., et al.
Published: (2024)

Quantum-centric computation of molecular excited states with extended sample-based quantum diagonalization
by: Barison, Stefano, et al.
Published: (2024)

Shadow Ansatz for the Many-Fermion Wave Function in Scalable Molecular Simulations on Quantum Computing Devices
by: Wang, Yuchen, et al.
Published: (2024)

The Basics of Quantum Computing for Chemists
by: Claudino, Daniel
Published: (2022)

Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer
by: Feniou, César, et al.
Published: (2023)

Quantum Simulation of Open Quantum Dynamics via Non-Markovian Quantum State Diffusion
by: Guo, Yukai, et al.
Published: (2024)

Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
by: Rossmannek, Max, et al.
Published: (2023)

Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications
by: Mullinax, J. Wayne, et al.
Published: (2024)

Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
by: Nagy, Dániel, et al.
Published: (2024)

Constrained Shadow Tomography for Molecular Simulation on Quantum Devices
by: Avdic, Irma, et al.
Published: (2025)

Correlated Purification for Restoring $N$-Representability in Quantum Simulation
by: Wang, Yuchen, et al.
Published: (2025)

A Roadmap for Simulating Chemical Dynamics on a Parametrically Driven Bosonic Quantum Device
by: Cabral, Delmar G. A., et al.
Published: (2024)

Simulating Vibrational Dynamics on Bosonic Quantum Devices
by: Malpathak, Shreyas, et al.
Published: (2024)

Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
by: Merz, Jr., Kenneth M., et al.
Published: (2026)

Quantum Simulation of Conical Intersections
by: Wang, Yuchen, et al.
Published: (2024)

Walking through Hilbert Space with Quantum Computers
by: Jiang, Tong, et al.
Published: (2024)

Size-Consistent Quantum Chemistry on Quantum Computers
by: Garrett, Noah, et al.
Published: (2025)

Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging
by: Smith, Tyler, et al.
Published: (2025)

Quantum-Classical Auxiliary Field Quantum Monte Carlo with Matchgate Shadows on Trapped Ion Quantum Computers
by: Zhao, Luning, et al.
Published: (2025)

Analog Quantum Simulation of Coupled Electron-Nuclear Dynamics in Molecules
by: Ha, Jong-Kwon, et al.
Published: (2024)

Quantum Simulations of Chemistry in First Quantization with any Basis Set
by: Georges, Timothy N., et al.
Published: (2024)

Autonomous Quantum Simulation through Large Language Model Agents
by: Li, Weitang, et al.
Published: (2026)

Quantum Computing in Corrosion Modeling: Bridging Research and Industry
by: Hualde, Juan Manuel Aguiar, et al.
Published: (2024)

Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
by: Erhart, Luca, et al.
Published: (2024)

Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
by: Jensen, Phillip W. K., et al.
Published: (2023)

Quantum Many-body Simulations from a Reinforcement-Learned Exponential Ansatz
by: Wang, Yuchen, et al.
Published: (2025)