Papers matching “quantum chemistry simulation” 56
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Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures2025 arXiv (Cornell University) preprint Physics and Astronomy Strong Light-Matter Interactions Open access
Even Chiari, Wafa Makhlouf, Lucie Pepe, Emiel Koridon, Johanna Klein, Bruno Senjean, +2 more
0citations -
Ab initio polaritonic chemistry on diverse quantum computing platforms: Ansatz circuit design for qubit, qudit, and hybrid qubit-qumode architectures2025 Physical Review A article Computer Science Quantum Computing Algorithms and Architecture Open access
Even Chiari, Wafa Makhlouf, Lucie Pepe, Emiel Koridon, Johanna Klein, Bruno Senjean, +1 more
2citations -
OpenFermion: the electronic structure package for quantum computers2020 Quantum Science and Technology article Computer Science Quantum Computing Algorithms and Architecture Open access cited by 6 patents
Jarrod R. McClean, Nicholas C. Rubin, Kevin J. Sung, Ian Kivlichan, Xavier Bonet-Monroig, Yudong Cao, +28 more
466citations -
Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications2021 Physical Review Research article Computer Science Quantum Computing Algorithms and Architecture Open access cited by 1 patent
Emiel Koridon, Saad Yalouz, Bruno Senjean, Francesco Buda, Thomas E. O’Brien, Lucas Visscher
38citations -
Purification-based quantum error mitigation of pair-correlated electron simulations2023 Nature Physics article Computer Science Quantum Computing Algorithms and Architecture Open access
Thomas E. O’Brien, Gian-Luca Anselmetti, Fotios Gkritsis, Vincent E. Elfving, Stefano Polla, William J. Huggins, +91 more
73citations -
Optimizing and Comparing Quantum Resources of Statistical Phase Estimation and Krylov Subspace Diagonalization2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Oumarou Oumarou, Pauline J. Ollitrault, Stefano Polla, Christian Gogolin
0citations -
Curriculum reinforcement learning for quantum architecture search under hardware errors2024 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Yash J. Patel, Akash Kundu, Mateusz Ostaszewski, Xavier Bonet-Monroig, Vedran Dunjko, Onur Danaci
7citations -
Evaluating Ground State Energies of Chemical Systems with Low-Depth Quantum Circuits and High Accuracy2025 The Journal of Physical Chemistry A article Computer Science Quantum Computing Algorithms and Architecture Open access
Shuo Sun, Chandan Kumar, Elvira Shishenina, Christian B. Mendl
0citations -
Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry2023 The Journal of Physical Chemistry A article Chemistry Advanced Physical and Chemical Molecular Interactions
Wassja A. Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, +1 more
11citations -
A theoretical simulation of the magnetic properties of nanocomposites based on graphene nanoflakes2022 International Journal of Quantum Chemistry article Physics and Astronomy Advanced Condensed Matter Physics
Vladyslav O. Cheranovskii, Victor V. Slavin, Andrei L. Tchougréeff, Richard Dronskowski
0citations -
MiMiC: Multiscale Modeling in Computational Chemistry2020 Frontiers in Molecular Biosciences article Physics and Astronomy Advanced Chemical Physics Studies Open access
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, +1 more
10citations -
Classical Dynamics in a Quantum Spirit: Revision of adiabatic trajectories treatment for H$_2$/Pd(111)2026 Zenodo (CERN European Organization for Nuclear Research) dataset Chemistry Advanced Physical and Chemical Molecular Interactions Open access
L. T. Viaud, mark somers, Cedric Crespos, Laurent Bonnet, P. Larrégaray
0citations