Matt J. Harvey

According to our database, Matt J. Harvey authored at least 23 papers between 2005 and 2019.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2019

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

2018

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

2017

A metadata-driven approach to data repository design.

Matthew J. Harvey, Andrew McLean, Henry S. Rzepa

J. Cheminformatics, 2017

Dimensionality reduction methods for molecular simulations.

Stefan Doerr, Igor Ariz, Matthew J. Harvey, Gianni De Fabritiis

CoRR, 2017

2016

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

2015

AceCloud: Molecular Dynamics Simulations in the Cloud.

Matt J. Harvey, Gianni De Fabritiis

J. Chem. Inf. Model., 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

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

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

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

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

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

2011

Swan: A tool for porting CUDA programs to OpenCL.

Matt J. Harvey, Gianni De Fabritiis

Comput. Phys. Commun., 2011

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

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

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

2008

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

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

Coupled applications on distributed resources.

Peter V. Coveney, Gianni De Fabritiis, Matt J. Harvey, Stephen Pickles, Andrew R. Porter

Comput. Phys. Commun., 2006

Using Lambda Networks to Enhance Performance of Interactive Large Simulations.

Matt J. Harvey, Shantenu Jha, Mary-Ann Thyveetil, Peter V. Coveney

Proceedings of the Second International Conference on e-Science and Grid Technologies (e-Science 2006), 2006

2005

Scientific grid computing: the first generation.

Jonathan Chin, Matthew J. Harvey, Shantenu Jha, Peter V. Coveney

Comput. Sci. Eng., 2005

Detection and tracking of defects in the gyroid mesophase.

Jens Harting, Matt J. Harvey, Jonathan Chin, Peter V. Coveney

Comput. Phys. Commun., 2005

SPICE: Simulated Pore Interactive Computing Environment.

Shantenu Jha, Peter V. Coveney, Matt J. Harvey

Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, 2005