44 citations · 121 across the 17 of their papers we have counts for
19 papers
Selected Stabilizer Subspaces for Compact Many-Body Wave Functions
Maria-Andreea Filip, George H. Booth
Selected configuration interaction (SCI) obtains accurate many-body solutions by variationally diagonalising the Hamiltonian in a sparse, iteratively selected set of configurations…
Efficient measurement schemes for the Monte Carlo projective quantum eigensolver
Divye Baid, Maria-Andreea Filip
The Monte Carlo Projective Quantum Eigensolver (MC-PQE) was recently introduced as an alternative to hybrid algorithms like the variational quantum eigensolver (VQE). By using a qu…
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…
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…
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…
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…
Transcorrelated Theory with Pseudopotentials
Kristoffer Simula, Evelin Martine Corvid Christlmaier, Maria-Andreea Filip +4
The transcorrelated (TC) method performs a similarity transformation on the electronic Schrödinger equation via Jastrow factorization of the wave function. This has demonstrated si…
Transcorrelated Methods Applied to Second Row Elements
Maria-Andreea Filip, Pablo López Ríos, J. Philip Haupt +3
We explore the applicability of the transcorrelated method to the elements in the second row of the periodic table. We use transcorrelated Hamiltonians in conjunction with full con…
Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites
Paramvir Ahlawat, Cecilia Clementi, Felix Musil +1
Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovs…
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
Zijun Zhao, Maria-Andreea Filip, Alex J W Thom
The multi-reference coupled-cluster Monte Carlo (MR-CCMC) algorithm is a determinant-based quantum Monte Carlo (QMC) algorithm that is conceptually similar to Full Configuration In…
Fighting noise with noise: a stochastic projective quantum eigensolver
Maria-Andreea Filip
In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application…
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems
Maria-Andreea Filip, Alex J. W. Thom
The development of multireference coupled cluster (MRCC) techniques has remained an open area of study in electronic structure theory for decades due to the inherent complexity of…
Variational Phase Estimation with Variational Fast Forwarding
Maria-Andreea Filip, David Muñoz Ramo, Nathan Fitzpatrick
Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising…
Reducing Unitary Coupled Cluster Circuit Depth by Classical Stochastic Amplitude Pre-Screening
Maria-Andreea Filip, Nathan Fitzpatrick, David Muñoz Ramo +1
Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perfo…
A Stochastic Approach to Unitary Coupled Cluster
Maria-Andreea Filip, Alex J. W. Thom
Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for u…
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
James S. Spencer, Nick S. Blunt, Seonghoon Choi +15
Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over…
Multireference Stochastic Coupled Cluster
Maria-Andreea Filip, Charles J. C. Scott, Alex J. W. Thom
We describe a modification of the stochastic coupled cluster algorithm that allows the use of multiple reference determinants. By considering the secondary references as excitation…