Matt J. Harvey

15 papers A 1B 1Journal 13
YearRankTypeTitle / Venue / Authors
2019 J jnl
A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning.
J. Chem. Inf. Model.
Raimondas Galvelis, Stefan Doerr, João M. Damas, Matt J. Harvey, Gianni De Fabritiis
2018 J jnl
Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.
J. Chem. Inf. Model.
Gerard Martínez-Rosell, Matt J. Harvey, Gianni De Fabritiis
2015 J jnl
AceCloud: Molecular Dynamics Simulations in the Cloud.
J. Chem. Inf. Model.
Matt J. Harvey, Gianni De Fabritiis
2014 J jnl
Kinetic Characterization of Fragment Binding in AmpC β-Lactamase by High-Throughput Molecular Simulations.
J. Chem. Inf. Model.
Paola Bisignano, Stefan Doerr, Matt J. Harvey, Angelo D. Favia, Andrea Cavalli, Gianni De Fabritiis
2014 J jnl
Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods.
J. Chem. Inf. Model.
Gianluigi Lauro, Noelia Ferruz, Simone Fulle, Matt J. Harvey, Paul W. Finn, Gianni De Fabritiis
2011 J jnl
Swan: A tool for porting CUDA programs to OpenCL.
Comput. Phys. Commun.
Matt J. Harvey, Gianni De Fabritiis
2010 J jnl
Distributed computing as a virtual supercomputer: Tools to run and manage large-scale BOINC simulations.
Comput. Phys. Commun.
Toni Giorgino, Matt J. Harvey, Gianni De Fabritiis
2010 J jnl
High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing.
J. Chem. Inf. Model.
Ignasi Buch, Matt J. Harvey, Toni Giorgino, David P. Anderson, Gianni De Fabritiis
2010 J jnl
SPECTRa-T: Machine-Based Data Extraction and Semantic Searching of Chemistry e-Theses.
J. Chem. Inf. Model.
Jim Downing, Matt J. Harvey, Peter B. Morgan, Peter Murray-Rust, Henry S. Rzepa, Diana C. Stewart, Alan P. Tonge, Joe Townsend
2008 J jnl
SPECTRa: The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories.
J. Chem. Inf. Model.
Jim Downing, Peter Murray-Rust, Alan P. Tonge, Peter B. Morgan, Henry S. Rzepa, Fiona Cotterill, Nick Day, Matt J. Harvey
2006 J jnl
An Integrated Instrument Control and Informatics System for Combinatorial Materials Research.
J. Chem. Inf. Model.
Matt J. Harvey, Daniel J. Scott, Peter V. Coveney
2006 J jnl
Coupled applications on distributed resources.
Comput. Phys. Commun.
Peter V. Coveney, Gianni De Fabritiis, Matt J. Harvey, Stephen Pickles, Andrew R. Porter
2006 B conf
Using Lambda Networks to Enhance Performance of Interactive Large Simulations.
e-Science
Matt J. Harvey, Shantenu Jha, Mary-Ann Thyveetil, Peter V. Coveney
2005 J jnl
Detection and tracking of defects in the gyroid mesophase.
Comput. Phys. Commun.
Jens Harting, Matt J. Harvey, Jonathan Chin, Peter V. Coveney
2005 A conf
SPICE: Simulated Pore Interactive Computing Environment.
SC
Shantenu Jha, Peter V. Coveney, Matt J. Harvey