Peter V. Coveney
Orcid: 0000-0002-8787-7256Affiliations:
- University College London, Centre for Computational Science, Department of Chemistry, UK
According to our database1,
Peter V. Coveney
authored at least 121 papers
between 1996 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Sharkovskii's theorem and the limits of digital computers for the simulation of chaotic dynamical systems.
J. Comput. Sci., 2024
Proceedings of the Computational Science - ICCS 2024, 2024
2023
J. Chem. Inf. Model., November, 2023
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal.
J. Chem. Inf. Model., February, 2023
Development and performance of a HemeLB GPU code for human-scale blood flow simulation.
Comput. Phys. Commun., 2023
FabSim3: An automation toolkit for verified simulations using high performance computing.
Comput. Phys. Commun., 2023
2022
J. Supercomput., 2022
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.
J. Chem. Inf. Model., 2022
Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System.
Proceedings of the Computational Science - ICCS 2022, 2022
2021
Nat. Comput. Sci., 2021
Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit.
J. Comput. Sci., 2021
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers.
CoRR, 2021
Proceedings of the PASC '21: Platform for Advanced Scientific Computing Conference, 2021
Proceedings of the ICPP 2021: 50th International Conference on Parallel Processing, Lemont, IL, USA, August 9, 2021
2020
IEEE Syst. J., 2020
From digital hype to analogue reality: Universal simulation beyond the quantum and exascale eras.
J. Comput. Sci., 2020
VECMAtk: A Scalable Verification, Validation and Uncertainty Quantification Toolkit for Scientific Simulations.
CoRR, 2020
Int. J. Comput. Assist. Radiol. Surg., 2020
2019
Supercomput. Front. Innov., 2019
Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation Threshold.
J. Chem. Inf. Model., 2019
Future Gener. Comput. Syst., 2019
Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure.
Entropy, 2019
Proceedings of the 2019 IEEE International Conference on Image Processing, 2019
Introducing VECMAtk - Verification, Validation and Uncertainty Quantification for Multiscale and HPC Simulations.
Proceedings of the Computational Science - ICCS 2019, 2019
2018
CoRR, 2018
BMC Bioinform., 2018
Proceedings of the 14th IEEE International Conference on e-Science, 2018
Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight.
Proceedings of the 18th IEEE/ACM International Symposium on Cluster, 2018
2017
Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation.
J. Chem. Inf. Model., 2017
LB3D: A parallel implementation of the Lattice-Boltzmann method for simulation of interacting amphiphilic fluids.
Comput. Phys. Commun., 2017
Coupling of lattice-Boltzmann solvers with suspended particles using the MPI intercommunication framework.
Adv. Eng. Softw., 2017
2016
FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures.
Comput. Phys. Commun., 2016
2015
J. Comput. Sci., 2015
CoRR, 2015
Proceedings of the 2015 XSEDE Conference: Scientific Advancements Enabled by Enhanced Cyberinfrastructure, St. Louis, MO, USA, July 26, 2015
Characterization of parafoveal hemodynamics associated with diabetic retinopathy with adaptive optics scanning laser ophthalmoscopy and computational fluid dynamics.
Proceedings of the 37th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 2015
2014
Flexible composition and execution of large scale applications on distributed e-infrastructures.
J. Comput. Sci., 2014
Distributed multiscale computing with MUSCLE 2, the Multiscale Coupling Library and Environment.
J. Comput. Sci., 2014
Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force.
J. Comput. Chem., 2014
Comput. Sci. Eng., 2014
Weighted Decomposition in High-Performance Lattice-Boltzmann Simulations: Are Some Lattice Sites More Equal than Others?
Proceedings of the Solving Software Challenges for Exascale, 2014
p-medicine: A Medical Informatics Platform for Integrated Large Scale Heterogeneous Patient Data.
Proceedings of the AMIA 2014, 2014
2013
PLoS Comput. Biol., 2013
Analysing and modelling the performance of the HemeLB lattice-Boltzmann simulation environment.
J. Comput. Sci., 2013
A data infrastructure reference model with applications: towards realization of a ScienceTube vision with a data replication service.
J. Internet Serv. Appl., 2013
Int. J. Digit. Curation, 2013
Computer simulations reveal complex distribution of haemodynamic forces in a mouse retina model of angiogenesis.
CoRR, 2013
Proceedings of the Parallel Computing: Accelerating Computational Science and Engineering (CSE), 2013
Proceedings of the International Conference on Computational Science, 2013
2012
IMENSE: An e-infrastructure environment for patient specific multiscale data integration, modelling and clinical treatment.
J. Comput. Sci., 2012
Regulation of JAK2 Activation by Janus Homology 2: Evidence from Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2012
Choice of blood rheology model has minor impact on computational assessment of shear stress mediated vascular risk
CoRR, 2012
Flexible composition and execution of high performance, high fidelity multiscale biomedical simulations
CoRR, 2012
CoRR, 2012
Analyzing and Modeling the Performance of the HemeLB Lattice-Boltzmann Simulation Environment
CoRR, 2012
Proceedings of the Large Scale Projects in eHealth, 2012
Proceedings of the Large Scale Projects in eHealth, 2012
Proceedings of the 16th IEEE/ACM International Symposium on Distributed Simulation and Real Time Applications, 2012
The Application Hosting Environment 3.0: Simplifying biomedical simulations using RESTful web services.
Proceedings of CBMS 2012, 2012
A Comparative Analysis of the Usability and Legal Implications of Different Patient Data Sharing Architectures.
Proceedings of the AMIA 2012, 2012
2011
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2011
Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptor.
J. Comput. Chem., 2011
IEEE Commun. Lett., 2011
Audited credential delegation: a usable identity management solution for grid environments.
Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011
Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011
Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences.
Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011
Proceedings of the IEEE 7th International Conference on E-Science, 2011
Modelling Distributed Multiscale Simulation Performance: An Application to Nanocomposites.
Proceedings of the IEEE 7th International Conference on E-Science, 2011
2010
Proceedings of the International Conference on Computational Science, 2010
Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases.
J. Chem. Inf. Model., 2010
Large scale computational science on federated international grids: The role of switched optical networks.
Future Gener. Comput. Syst., 2010
Special section: CompSci07, Computational Science 2007: Interdisciplinary challenges and perspectives, from the Grid to e-Science.
Future Gener. Comput. Syst., 2010
Reducing Congestion in Obstructed Highways with Traffic Data Dissemination Using Ad hoc Vehicular Networks.
EURASIP J. Adv. Signal Process., 2010
In situ ray tracing and computational steering for interactive blood flow simulation.
Comput. Phys. Commun., 2010
A computationally efficient method for simulating fluid flow in elastic pipes in three dimensions.
Comput. Phys. Commun., 2010
Exploring the Potential of Using Multiple E-science Infrastructures with Emerging Open Standards-Based E-health Research Tools.
Proceedings of the 10th IEEE/ACM International Conference on Cluster, 2010
Audited credential delegation - a user-centric identity management solution for computational grid environments.
Proceedings of the Sixth International Conference on Information Assurance and Security, 2010
2009
J. Comput. Chem., 2009
Int. J. High Perform. Comput. Appl., 2009
Virtualizing access to scientific applications with the Application Hosting Environment.
Comput. Phys. Commun., 2009
Proceedings of the Proceedings Second Workshop on Formal Aspects of Virtual Organisations, 2009
From campus resources to federated international grids: bridging the gap with the application hosting environment.
Proceedings of the 5th Grid Computing Environments Workshop, 2009
2008
J. Chem. Inf. Model., 2008
Design of Electroceramic Materials Using Artificial Neural Networks and Multiobjective Evolutionary Algorithms.
J. Chem. Inf. Model., 2008
Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases.
J. Chem. Inf. Model., 2008
HemeLB: A high performance parallel lattice-Boltzmann code for large scale fluid flow in complex geometries.
Comput. Phys. Commun., 2008
Proceedings of the 17th International Symposium on High-Performance Distributed Computing (HPDC-17 2008), 2008
Proceedings of the Global Healthgrid: e-Science Meets Biomedical Informatics, 2008
2007
The application hosting environment: Lightweight middleware for grid-based computational science.
Comput. Phys. Commun., 2007
NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications.
Clust. Comput., 2007
Proceedings of the Digital Human Modeling, 2007
2006
Math. Comput. Simul., 2006
Math. Comput. Simul., 2006
An Integrated Instrument Control and Informatics System for Combinatorial Materials Research.
J. Chem. Inf. Model., 2006
Facilitating User Access to the Grid: A Lightweight Application Hosting Environment for Grid Enabled Computational Science.
Proceedings of the Second International Conference on e-Science and Grid Technologies (e-Science 2006), 2006
Proceedings of the Second International Conference on e-Science and Grid Technologies (e-Science 2006), 2006
Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir.
Proceedings of the Computational Life Sciences II, 2006
2005
Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer.
J. Comput. Chem., 2005
Comput. Sci. Eng., 2005
Comput. Sci. Eng., 2005
Comput. Phys. Commun., 2005
Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational grids
CoRR, 2005
Proceedings of the ACM/IEEE SC2005 Conference on High Performance Networking and Computing, 2005
2004
Large-scale molecular dynamics simulations of HLA-A*0201 complexed with a tumor-specific antigenic peptide: Can the α3 and β2m domains be neglected?
J. Comput. Chem., 2004
1999
The Brain as a Huygens Machine.
Informatica (Slovenia), 1999
1996
Using Artificial Neural Networks to Predict the Quality and Performance of Oil-Field Cements.
AI Mag., 1996
Using Artificial Neural Networks to Predict the Quality and Performance of Oilfield Cements.
Proceedings of the Thirteenth National Conference on Artificial Intelligence and Eighth Innovative Applications of Artificial Intelligence Conference, 1996