Fionn D Malone

8PUBLICATIONS
17CO-AUTHORS
Degenerate quantum gases and atom opticsIntegrable systems (classical and quantum)Electrostatics and electrodynamicsComputer aided designTheoretical quantum chemistry
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Publications (8)

|Apr 03, 2023
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory.

Matthias Loipersberger, Fionn D Malone, Alicia R Welden

|Apr 13, 2022
Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers.

Fionn D Malone, Robert M Parrish, Alicia R Welden

|May 13, 2021
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach.

Joonho Lee, Fionn D Malone, Miguel A Morales

|May 22, 2020
Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing Units.

Fionn D Malone, Shuai Zhang, Miguel A Morales

|Apr 15, 2020
Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C36 Fullerene and an Iron Porphyrin Model Complex.

Joonho Lee, Fionn D Malone, Miguel A Morales

|Jan 17, 2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set.

Hayley R Petras, Sai Kumar Ramadugu, Fionn D Malone

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Frequent Collaborators

2 joint publications

Raffaele Santagati

2 joint publications

Joonho Lee

2 joint publications

Robert M Parrish

2 joint publications

Matthias Degroote