Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
- Yuri Alexeev
- Maximilian Amsler
- et al.
- 2024
- Future Generation Computer Systems
Publications
41 results for Mario Motta
Quantum Algorithms for the Variational Optimization of Correlated Electronic States with Stochastic Reconfiguration and the Linear Method
- Mario Motta
- Kevin J. Sung
- et al.
- 2024
- Journal of Physical Chemistry A
Simulation of a Diels-Alder reaction on a quantum computer
- Ieva Liepuoniute
- Mario Motta
- et al.
- 2024
- Physical Chemistry Chemical Physics
Adiabatic quantum imaginary time evolution
- Kasra Hejazi
- Mario Motta
- et al.
- 2024
- PRResearch
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
Quantum Algorithm for Imaginary-Time Green’s Functions
- Diksha Dhawan
- Dominika Zgid
- et al.
- 2024
- JCTC
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
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
- Mario Motta
- Kevin J. Sung
- et al.
- 2023
- Chemical Science
Quantum computation of reactions on surfaces using local embedding
- Tanvi P. Gujarati
- Mario Motta
- et al.
- 2023
- npj Quantum Information