SPICE: Simulated Pore Interactive Computing Environment. - Shantenu Jha; Peter V. Coveney; Matt J. Harvey (SC, 2005)

Detection and tracking of defects in the gyroid mesophase. - Jens Harting; Matt J. Harvey; Jonathan Chin; Peter V. Coveney (Comput. Phys. Commun., 2005)

Scientific grid computing: the first generation. - Jonathan Chin; Matthew J. Harvey; Shantenu Jha; Peter V. Coveney (Comput. Sci. Eng., 2005)

Using Lambda Networks to Enhance Performance of Interactive Large Simulations. - Matt J. Harvey; Shantenu Jha; Mary-Ann Thyveetil; Peter V. Coveney (e-Science, 2006)

Coupled applications on distributed resources. - Peter V. Coveney; Gianni De Fabritiis; Matt J. Harvey; Stephen Pickles; Andrew R. Porter (Comput. Phys. Commun., 2006)

An Integrated Instrument Control and Informatics System for Combinatorial Materials Research. - Matt J. Harvey; Daniel J. Scott; Peter V. Coveney (J. Chem. Inf. Model., 2006)

SPECTRa: The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories. - Jim Downing; Peter Murray-Rust; Alan P. Tonge; Peter B. Morgan; Henry S. Rzepa; Fiona Cotterill; Nick Day; Matt J. Harvey (J. Chem. Inf. Model., 2008)

Distributed computing as a virtual supercomputer: Tools to run and manage large-scale BOINC simulations. - Toni Giorgino; Matt J. Harvey; Gianni De Fabritiis (Comput. Phys. Commun., 2010)

High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing. - Ignasi Buch; Matt J. Harvey; Toni Giorgino; David P. Anderson; Gianni De Fabritiis (J. Chem. Inf. Model., 2010)

SPECTRa-T: Machine-Based Data Extraction and Semantic Searching of Chemistry e-Theses. - Jim Downing; Matt J. Harvey; Peter B. Morgan; Peter Murray-Rust; Henry S. Rzepa; Diana C. Stewart; Alan P. Tonge; Joe Townsend (J. Chem. Inf. Model., 2010)

Swan: A tool for porting CUDA programs to OpenCL. - Matt J. Harvey; Gianni De Fabritiis (Comput. Phys. Commun., 2011)

Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations. - Paola Bisignano; Stefan Doerr; Matt J. Harvey; Angelo D. Favia; Andrea Cavalli; Gianni De Fabritiis (J. Chem. Inf. Model., 2014)

Digital Data Repositories in Chemistry and Their Integration with Journals and Electronic Notebooks. - Matthew J. Harvey; Nicholas J. Mason; Henry S. Rzepa (J. Chem. Inf. Model., 2014)

Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods. - Gianluigi Lauro; Noelia Ferruz; Simone Fulle; Matt J. Harvey; Paul W. Finn; Gianni De Fabritiis (J. Chem. Inf. Model., 2014)

Standards-based curation of a decade-old digital repository dataset of molecular information. - Matthew J. Harvey; Nicholas J. Mason; Andrew McLean; Peter Murray-Rust; Henry S. Rzepa; James J. P. Stewart (J. Cheminformatics, 2015)

Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiers. - Matthew J. Harvey; Nicholas J. Mason; Andrew McLean; Henry S. Rzepa (J. Cheminformatics, 2015)

Insights from Fragment Hit Binding Assays by Molecular Simulations. - Noelia Ferruz; Matthew J. Harvey; Jordi Mestres; Gianni De Fabritiis (J. Chem. Inf. Model., 2015)

AceCloud: Molecular Dynamics Simulations in the Cloud. - Matt J. Harvey; Gianni De Fabritiis (J. Chem. Inf. Model., 2015)

A tablet-based surrogate system architecture for "in-situ" evaluation of cyber-physical transport technologies. - Matthew J. Harvey; Xintao Liu; Joseph Y. J. Chow (IEEE Intell. Transp. Syst. Mag., 2016)

Dimensionality reduction methods for molecular simulations. - Stefan Doerr; Igor Ariz; Matthew J. Harvey; Gianni De Fabritiis (CoRR, 2017)

A metadata-driven approach to data repository design. - Matthew J. Harvey; Andrew McLean; Henry S. Rzepa (J. Cheminformatics, 2017)

Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors. - Gerard Martínez-Rosell; Matt J. Harvey; Gianni De Fabritiis (J. Chem. Inf. Model., 2018)

A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning. - Raimondas Galvelis; Stefan Doerr; João M. Damas; Matt J. Harvey; Gianni De Fabritiis (J. Chem. Inf. Model., 2019)