Machine-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
Publications
79 results for Quantum Use Cases
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
- Max Rossmannek
- Fabijan Pavošević
- et al.
- 2023
- Journal of Physical Chemistry Letters
Quantum kernel machine learning of density functionals using a Levy-Lieb pure-state embedding
- Das Pemmaraju
- Amol Deshmukh
- 2023
- APS March Meeting 2023
Green'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
Polaritonic Ground and Excited State Energies on Superconducting Processors
- Mohammad Hassan
- Fabijan Pavosevic
- et al.
- 2023
- APS March Meeting 2023
Quantum algorithms for quantum dynamics
- Alexander Miessen
- Pauline J. Ollitrault
- et al.
- 2022
- Nat. Comput. Sci.
Levy-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
Second-Quantized Fermionic Operators with Polylogarithmic Qubit and Gate Complexity
- William Kirby
- Bryce Fuller
- et al.
- 2022
- PRX Quantum
Quantum computing and its applications in natural sciences
- 2022
- APS March Meeting 2022
Emerging hybrid quantum-classical algorithms for quantum chemistry
- Mario Motta
- Julia Rice
- 2022
- APS March Meeting 2022