1.3k citations · 5.6k across the 37 of their papers we have counts for
37 papers
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
Oumarou Oumarou, Maximilian Scheurer, Robert M. Parrish +2
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulati…
Purification-based quantum error mitigation of pair-correlated electron simulations
T. E. O'Brien, G. Anselmetti, F. Gkritsis +173
An important measure of the development of quantum computing platforms has been the simulation of increasingly complex physical systems. Prior to fault-tolerant quantum computing,…
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
Edward G. Hohenstein, Oumarou Oumarou, Rachael Al-Saadon +4
Efficient representations of the Hamiltonian such as double factorization drastically reduce circuit depth or number of repetitions in error corrected and noisy intermediate scale…
Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods
Robert M. Parrish, Gian-Luca R. Anselmetti, Christian Gogolin
We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistat…
Local, Expressive, Quantum-Number-Preserving VQE Ansatze for Fermionic Systems
Gian-Luca R. Anselmetti, David Wierichs, Christian Gogolin +1
We propose VQE circuit fabrics with advantageous properties for the simulation of strongly correlated ground and excited states of molecules and materials under the Jordan-Wigner m…
Locality of temperature and correlations in the presence of non-zero-temperature phase transitions
Senaida Hernández Santana, Andras Molnar, Christian Gogolin +2
While temperature is well understood as an intensive quantity in standard thermodynamics, it is less clear whether the same holds in the presence of strong correlations, especially…