A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
- Arseny Kovyrshin
- Mårten Skogh
- et al.
- 2023
- Journal of Chemical Physics
Paper
Publications
82 results for Quantum Use Cases
Exact and efficient Lanczos method on a quantum computer
- William Kirby
- Mario Motta
- et al.
- 2023
- Quantum
PaperMachine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- MRS Spring Meeting 2023
TalkQuantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- Alessandra Toniato
- Jan Unsleber
- et al.
- 2023
- MRS Spring Meeting 2023
TalkQuantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
- Max Rossmannek
- Fabijan Pavošević
- et al.
- 2023
- Journal of Physical Chemistry Letters
PaperQuantum kernel machine learning of density functionals using a Levy-Lieb pure-state embedding
- Das Pemmaraju
- Amol Deshmukh
- 2023
- APS March Meeting 2023
TalkGreen's function approach to quantum chemistry on a quantum computer via dynamical self-energy mapping
- Christina Daniel
- Barbara Jones
- et al.
- 2023
- APS March Meeting 2023
TalkPolaritonic Ground and Excited State Energies on Superconducting Processors
- Mohammad Hassan
- Fabijan Pavosevic
- et al.
- 2023
- APS March Meeting 2023
TalkQuantum algorithms for quantum dynamics
- Alexander Miessen
- Pauline J. Ollitrault
- et al.
- 2022
- Nat. Comput. Sci.
PaperLevy-Lieb embedding of density-functional theory and its quantum kernel: Illustration for the Hubbard dimer using near-term quantum algorithms
- Das Pemmaraju
- Amol Deshmukh
- 2022
- Physical Review A
Paper