Fionn D Malone

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 8

Top Venues

Journal of chemical theory and computation

Chemical science

Imperial College London (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Imperial College London Oct 1o 2013 - Apr 1o 2017

United Kingdom

PHD :: Physics

Publications

Matthias Loipersberger, Fionn D Malone, Alicia R Welden, Robert M Parrish, Thomas Fox, Matthias Degroote, Elica Kyoseva, Nikolaj Moll, Raffaele Santagati, Michael Streif
Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory. Chemical science 14 (13) (2023)
Fionn D Malone, Robert M Parrish, Alicia R Welden, Thomas Fox, Matthias Degroote, Elica Kyoseva, Nikolaj Moll, Raffaele Santagati, Michael Streif
Towards the simulation of large scale protein-ligand interactions on NISQ-era quantum computers. Chemical science 13 (11) (2022)
Joonho Lee, Fionn D Malone, Miguel A Morales, David R Reichman
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach. Journal of chemical theory and computation 17 (6) (2021)
Joonho Lee, Fionn D Malone, Miguel A Morales
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. Journal of chemical theory and computation 16 (5) (2020)
Fionn D Malone, Shuai Zhang, Miguel A Morales
Accelerating Auxiliary-Field Quantum Monte Carlo Simulations of Solids with Graphical Processing Units. Journal of chemical theory and computation 16 (7) (2020)
Hayley R Petras, Sai Kumar Ramadugu, Fionn D Malone, James J Shepherd
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for ab Initio Hamiltonians in a Finite Basis Set. Journal of chemical theory and computation 16 (2) (2020)
James S Spencer, Nick S Blunt, Seonghoon Choi, Jiří Etrych, Maria-Andreea Filip, W Matthew C Foulkes, Ruth S T Franklin, Will J Handley, Fionn D Malone, Verena A Neufeld, Roberto Di Remigio, Thomas W Rogers, Charles J C Scott, James J Shepherd, William A Vigor, Joseph Weston, RuQing Xu, Alex J W Thom
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up. Journal of chemical theory and computation 15 (3) (2019)
Fionn D Malone, Shuai Zhang, Miguel A Morales
Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density Fitting. Journal of chemical theory and computation 15 (1) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Fionn D Malone