1 citations · 1 across the 3 of their papers we have counts for
10 papers
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
Eline Welling, Lila Cadi-Tazi, Alex J. W. Thom +1
Quantum computers hold great promise for molecular simulation, but noise remains a fundamental obstacle. We introduce a Quantum Monte Carlo (QMC) pre-screening procedure that const…
Excited state preparation on a quantum computer through adiabatic light-matter coupling
Hugh G. A. Burton, Maria-Andreea Filip
Quantum computing has the potential to transform simulations of quantum many-body problems at the heart of electronic structure theory. Efficient quantum algorithms to compute the…
Beyond asymptotic reasoning: the practicalities of a quantum ground state projector based on the wall-Chebyshev expansion
Maria-Andreea Filip, Nathan Fitzpatrick
We consider a quantum algorithm for ground-state preparation based on a Chebyshev series approximation to the wall function. In a classical setting, this approach is appealing as i…
Modular Construction of Jastrow Factors for the Transcorrelated Method
J. Philip Haupt, Maria-Andreea Filip, Evelin Martine Corvid Christlmaier +3
In this work, we explore the reuse of terms in the Jastrow factor between systems for use in the transcorrelated method, to reduce the number of optimisable parameters for a given…
Transcorrelated Theory for Transition Metal Atoms
Kristoffer Simula, Maria-Andreea Filip, Ali Alavi
We benchmark ionisation and excitation energies of transition-metal atoms Sc-Zn with a transcorrelated Hamiltonian combined with pseudopotentials. The similarity transformed Hamilt…
Deterministic Optimisation of Jastrow Factors
Maria-Andreea Filip, Evelin M. C. Christlmaier, J. Philip Haupt +3
Highly flexible Jastrow factors have found significant use in stochastic electronic structure methods such as variational Monte Carlo (VMC) and diffusion Monte Carlo, as well as in…