Simulation of a Diels-Alder reaction on a quantum computer
- Ieva Liepuoniute
- Mario Motta
- et al.
- 2024
- Physical Chemistry Chemical Physics
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92 results for Julia E. Rice
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
- Qiaohong Wang
- Valay Agarawal
- et al.
- 2024
- Journal of Chemical Physics
Tribute to Roland Lindh
- Leticia González
- Markus Reiher
- et al.
- 2024
- The journal of physical chemistry. A
Subspace methods for electronic structure simulations on quantum computers
- Mario Motta
- William Kirby
- et al.
- 2024
- Electronic Structure
Quantum computation of π → π* and n → π* excited states of aromatic heterocycles
- Maria A. Castellanos
- Mario Motta
- et al.
- 2023
- Molecular Physics
Quantum computation of reactions on surfaces using local embedding
- Tanvi P. Gujarati
- Mario Motta
- et al.
- 2023
- npj Quantum Information
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
- Ruhee D’Cunha
- T. Daniel Crawford
- et al.
- 2023
- Journal of Physical Chemistry A
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
- Mario Motta
- Gavin O. Jones
- et al.
- 2023
- Chemical Science
N-Electron Valence Perturbation Theory with Reference Wave Functions from Quantum Computing: Application to the Relative Stability of Hydroxide Anion and Hydroxyl Radical
- Alessandro Tammaro
- Davide E. Galli
- et al.
- 2023
- Journal of Physical Chemistry A
Emerging quantum computing algorithms for quantum chemistry
- Mario Motta
- Julia E. Rice
- 2021
- WIREs Computational Molecular Science