Alex J W Thom (A J W Thom)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 28

Top Topics

Density Functional Theory

Electron Transfer

Machine Learning

Endoplasmic Reticulum

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry. C, Nanomaterials and interfaces

The journal of physical chemistry letters

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

Publications

Lila Cadi Tazi, Alex J W Thom
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States. Journal of chemical theory and computation 20 (6) (2024)
Zijun Zhao, Maria-Andreea Filip, Alex J W Thom
Rapidly convergent quantum Monte Carlo using a Chebyshev projector. Faraday discussions (2024)
Lila Cadi Tazi, Alex J W Thom
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States. Journal of chemical theory and computation 20 (6) (2024)
Lila Cadi Tazi, Alex J W Thom
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States. Journal of chemical theory and computation 20 (6) (2024)
Lila Cadi Tazi, Alex J W Thom
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States. Journal of chemical theory and computation (2024)
Nicholas Lee, Alex J W Thom
Studies on the Transcorrelated Method. Journal of chemical theory and computation (2023)
Daniel Graf, Alex J W Thom
Simple and Efficient Route toward Improved Energetics within the Framework of Density-Corrected Density Functional Theory. Journal of chemical theory and computation (2023)
Maria-Andreea Filip, Alex J W Thom
A hybrid stochastic configuration interaction-coupled cluster approach for multireference systems. The Journal of chemical physics 158 (18) (2023)
Maria-Andreea Filip, Alex J W Thom
Erratum: "A stochastic approach to unitary coupled cluster" [J. Chem. Phys. 153, 214106 (2020)]. The Journal of chemical physics 156 (22) (2022)
Nicholas Lee, Alex J W Thom
Localized Spin Rotations: A Size-Consistent Approach to Nonorthogonal Configuration Interaction. Journal of chemical theory and computation 18 (2) (2022)
Anna T Bui, Niamh A Hartley, Alex J W Thom, Alexander C Forse
Trade-Off between Redox Potential and the Strength of Electrochemical CO 2 Capture in Quinones. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (33) (2022)
David Chukwuma Izuogu, Takefumi Yoshida, Goulven Cosquer, Jonnie N Asegbeloyin, Haitao Zhang, Alex J W Thom, Masahiro Yamashita
Periodicity of Single-Molecule Magnet Behaviour of Heterotetranuclear Lanthanide Complexes across the Lanthanide Series: A Compendium. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (27) (2020)
Verena A Neufeld, Alex J W Thom
Accelerating Convergence in Fock Space Quantum Monte Carlo Methods. Journal of chemical theory and computation 16 (3) (2020)
Rhiannon A Zarotiadis, Hugh G A Burton, Alex J W Thom
Towards a Holomorphic Density Functional Theory. Journal of chemical theory and computation 16 (12) (2020)
Bang C Huynh, Alex J W Thom
Symmetry in Multiple Self-Consistent-Field Solutions of Transition-Metal Complexes. Journal of chemical theory and computation 16 (2) (2020)
Yongbing Shen, Goulven Cosquer, Hiroshi Ito, David Chukwuma Izuogu, Alex J W Thom, Toshiaki Ina, Tomoya Uruga, Takefumi Yoshida, Shinya Takaishi, Brian K Breedlove, Zhao-Yang Li, Masahiro Yamashita
An Organic-Inorganic Hybrid Exhibiting Electrical Conduction and Single-Ion Magnetism. Angewandte Chemie (International ed. in English) 59 (6) (2020)
Charles J C Scott, Roberto Di Remigio, T Daniel Crawford, Alex J W Thom
Diagrammatic Coupled Cluster Monte Carlo. The journal of physical chemistry letters 10 (5) (2019)
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)
Hugh G A Burton, Alex J W Thom, Pierre-François Loos
Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states. The Journal of chemical physics 150 (4) (2019)
Maria-Andreea Filip, Charles J C Scott, Alex J W Thom
Multireference Stochastic Coupled Cluster. Journal of chemical theory and computation 15 (12) (2019)
Nick S Blunt, Alex J W Thom, Charles J C Scott
Preconditioning and Perturbative Estimators in Full Configuration Interaction Quantum Monte Carlo. Journal of chemical theory and computation 15 (6) (2019)
Hugh G A Burton, Alex J W Thom, Pierre-François Loos
Parity-Time Symmetry in Hartree-Fock Theory. Journal of chemical theory and computation 15 (8) (2019)
Hugh G A Burton, Alex J W Thom
General Approach for Multireference Ground and Excited States Using Nonorthogonal Configuration Interaction. Journal of chemical theory and computation 15 (9) (2019)
Verena A Neufeld, Alex J W Thom
A study of the dense uniform electron gas with high orders of coupled cluster. The Journal of chemical physics 147 (19) (2018)
Verena A Neufeld, Alex J W Thom
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights. Journal of chemical theory and computation 15 (1) (2018)
Charles J C Scott, Alex J W Thom
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion. The Journal of chemical physics 147 (12) (2018)
Kristopher T Jensen, Raz L Benson, Salvatore Cardamone, Alex J W Thom
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock States. Journal of chemical theory and computation 14 (9) (2018)
J S Spencer, Verena A Neufeld, W A Vigor, R S T Franklin, Alex J W Thom
Large scale parallelization in stochastic coupled cluster. The Journal of chemical physics 149 (20) (2018)