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ORCIDPeter V. Coveney
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- affiliation: University College London, Centre for Computational Science, Department of Chemistry, UK
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2020 – today
- 2024
[j69]Peter V. Coveney
, Roger R. Highfield:
Artificial Intelligence Must Be Made More Scientific. J. Chem. Inf. Model. 64(15): 5739-5741 (2024)- [j68]Peter V. Coveney:
Sharkovskii's theorem and the limits of digital computers for the simulation of chaotic dynamical systems. J. Comput. Sci. 83: 102449 (2024) - [c38]Xiao Xue, Jon W. S. McCullough, Sharp Chim Yui Lo, Ioannis Zacharoudiou, Bálint Joó, Peter V. Coveney:
The Lattice Boltzmann Based Large Eddy Simulations for the Stenosis of the Aorta. ICCS (5) 2024: 408-420 - 2023
- [j67]Ioannis Zacharoudiou, Jon W. S. McCullough, Peter V. Coveney:
Development and performance of a HemeLB GPU code for human-scale blood flow simulation. Comput. Phys. Commun. 282: 108548 (2023) - [j66]Derek Groen, Hamid Arabnejad, Diana Suleimenova, Wouter Edeling, Erwan Raffin, Yani Xue, Kevin Bronik, Nicolas Monnier, Peter V. Coveney:
FabSim3: An automation toolkit for verified simulations using high performance computing. Comput. Phys. Commun. 283: 108596 (2023) - [j65]Mateusz K. Bieniek, Alexander D. Wade, Agastya P. Bhati, Shunzhou Wan, Peter V. Coveney:
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal. J. Chem. Inf. Model. 63(3): 718-724 (2023) - [j64]Shunzhou Wan, Agastya P. Bhati, Alexander D. Wade, Peter V. Coveney:
Ensemble-Based Approaches Ensure Reliability and Reproducibility. J. Chem. Inf. Model. 63(22): 6959-6963 (2023) - 2022
- [j63]Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney:
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. J. Chem. Inf. Model. 62(10): 2561-2570 (2022) - [j62]Julian Morillo, Maxime Vassaux, Peter V. Coveney, Marta Garcia-Gasulla:
Hybrid parallelization of molecular dynamics simulations to reduce load imbalance. J. Supercomput. 78(7): 9184-9215 (2022) - [c37]Kevin Bronik, Werner Muller Roa, Maxime Vassaux, Wouter Edeling, Peter V. Coveney:
Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System. ICCS (4) 2022: 762-766 - [i25]Ioannis Zacharoudiou, Jon W. S. McCullough, Peter V. Coveney:
Development and performance of a HemeLB GPU code for human-scale blood flow simulation. CoRR abs/2202.11770 (2022) - 2021
- [j61]Diana Suleimenova, Hamid Arabnejad, Wouter Edeling, David Coster, Onnie O. Luk, Jalal Lakhlili, Vytautas Jancauskas, Michal Kulczewski, Lourens E. Veen, Dongwei Ye, Pavel Zun, Valeria V. Krzhizhanovskaya, Alfons G. Hoekstra, Daan Crommelin, Peter V. Coveney, Derek Groen:
Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit. J. Comput. Sci. 53: 101402 (2021) - [j60]Wouter Edeling, Hamid Arabnejad, Robert Sinclair, Diana Suleimenova, Krishnakumar Gopalakrishnan, Bartosz Bosak, Derek Groen, Imran Mahmood, Daan Crommelin, Peter V. Coveney:
The impact of uncertainty on predictions of the CovidSim epidemiological code. Nat. Comput. Sci. 1(2): 128-135 (2021) - [c36]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Alexander Brace, Thomas S. Brettin, Kyle Chard, Ryan Chard, Austin Clyde, Peter V. Coveney, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Dieter Kranzlmüller, Thorsten Kurth, Hyungro Lee, Zhuozhao Li, Heng Ma, Gerald Mathias, André Merzky, Alexander Partin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Anda Trifan, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling, Junqi Yin:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 2021: 40:1-40:12 - [c35]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 2021: 2:1-2:13 - [i24]Agastya P. Bhati, Shunzhou Wan, Dario Alfè, Austin R. Clyde, Mathis Bode, Li Tan, Mikhail Titov, André Merzky, Matteo Turilli, Shantenu Jha, Roger R. Highfield, Walter Rocchia, Nicola Scafuri, Sauro Succi, Dieter Kranzlmüller, Gerald Mathias, David Wifling, Yann Donon, Alberto Di Meglio, Sofia Vallecorsa, Heng Ma, Anda Trifan, Arvind Ramanathan, Tom Brettin, Alexander Partin, Fangfang Xia, Xiaotan Duan, Rick Stevens, Peter V. Coveney:
Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR abs/2103.02843 (2021) - 2020
- [j59]Sahar Soheilian Esfahani, Xiaojun Zhai, Minsi Chen, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Georges Younes, Abdulla Baobeid, Robin A. Richardson, Peter V. Coveney:
Lattice-Boltzmann interactive blood flow simulation pipeline. Int. J. Comput. Assist. Radiol. Surg. 15(4): 629-639 (2020) - [j58]Peter V. Coveney, Roger R. Highfield:
From digital hype to analogue reality: Universal simulation beyond the quantum and exascale eras. J. Comput. Sci. 46: 101093 (2020) - [j57]Xiaojun Zhai, Minsi Chen, Sahar Soheilian Esfahani, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Robin A. Richardson, Peter V. Coveney:
Heterogeneous System-on-Chip-Based Lattice-Boltzmann Visual Simulation System. IEEE Syst. J. 14(2): 1592-1601 (2020) - [i23]Peter V. Coveney, Roger R. Highfield:
When we can trust computers (and when we can't). CoRR abs/2007.03741 (2020) - [i22]Derek Groen, Hamid Arabnejad, Vytautas Jancauskas, Wouter Edeling, Fredrik Jansson, Robin A. Richardson, Jalal Lakhlili, Linda van Veen, Bartosz Bosak, Piotr Kopta, D. W. Wright, Nicolas Monnier, Paul Karlshoefer, Diana Suleimenova, Robert Sinclair, Maxime Vassaux, Anna Nikishova, Mariusz Bieniek, Onnie O. Luk, Michal Kulczewski, Erwan Raffin, Daan Crommelin, Olivier Hoenen, David P. Coster, Tomasz Piontek, Peter V. Coveney:
VECMAtk: A Scalable Verification, Validation and Uncertainty Quantification Toolkit for Scientific Simulations. CoRR abs/2010.03923 (2020) - [i21]Aymen Al Saadi, Dario Alfè, Yadu N. Babuji, Agastya Bhati, Ben Blaiszik, Thomas S. Brettin, Kyle Chard, Ryan Chard, Peter V. Coveney, Anda Trifan, Alex Brace, Austin Clyde, Ian T. Foster, Tom Gibbs, Shantenu Jha, Kristopher Keipert, Thorsten Kurth, Dieter Kranzlmüller, Hyungro Lee, Zhuozhao Li, Heng Ma, André Merzky, Gerald Mathias, Alexander Partin, Junqi Yin, Arvind Ramanathan, Ashka Shah, Abraham C. Stern, Rick Stevens, Li Tan, Mikhail Titov, Aristeidis Tsaris, Matteo Turilli, Huub J. J. Van Dam, Shunzhou Wan, David Wifling:
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR abs/2010.06574 (2020) - [i20]Hyungro Lee, André Merzky, Li Tan, Mikhail Titov, Matteo Turilli, Dario Alfè, Agastya Bhati, Alex Brace, Austin Clyde, Peter V. Coveney, Heng Ma, Arvind Ramanathan, Rick Stevens, Anda Trifan, Hubertus Van Dam, Shunzhou Wan, Sean R. Wilkinson, Shantenu Jha:
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR abs/2010.10517 (2020)
2010 – 2019
- 2019
- [j56]Andrew Tranter, Peter J. Love, Florian Mintert, Nathan Wiebe, Peter V. Coveney:
Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure. Entropy 21(12): 1218 (2019) - [j55]Saad Alowayyed, Tomasz Piontek, James L. Suter, Olivier Hoenen, Derek Groen, Onnie Luk, Bartosz Bosak, Piotr Kopta, Krzysztof Kurowski, Oliver Perks, Keeran Brabazon, Vytautas Jancauskas, David Coster, Peter V. Coveney, Alfons G. Hoekstra:
Patterns for High Performance Multiscale Computing. Future Gener. Comput. Syst. 91: 335-346 (2019) - [j54]Robert Sinclair, Peter V. Coveney:
Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation Threshold. J. Chem. Inf. Model. 59(6): 2741-2745 (2019) - [j53]Saad Alowayyed, Maxime Vassaux, Benjamin Czaja, Peter V. Coveney, Alfons G. Hoekstra:
Towards Heterogeneous Multi-scale Computing on Large Scale Parallel Supercomputers. Supercomput. Front. Innov. 6(4): 20-43 (2019) - [c34]Derek Groen, Robin A. Richardson, David W. Wright, Vytautas Jancauskas, Robert Sinclair, Paul Karlshoefer, Maxime Vassaux, Hamid Arabnejad, Tomasz Piontek, Piotr Kopta, Bartosz Bosak, Jalal Lakhlili, Olivier Hoenen, Diana Suleimenova, Wouter Edeling, Daan Crommelin, Anna Nikishova, Peter V. Coveney:
Introducing VECMAtk - Verification, Validation and Uncertainty Quantification for Multiscale and HPC Simulations. ICCS (4) 2019: 479-492 - [c33]Sahar Soheilian Esfahani, Peter V. Coveney, Xiaojun Zhai, Minsi Chen, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Georges Younes, Robin A. Richardson:
Hemelb Acceleration and Visualization for Cerebral Aneurysms. ICIP 2019: 1376-1380 - [i19]Sahar Soheilian Esfahani, Xiaojun Zhai, Minsi Chen, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Georges Younes, Robin A. Richardson, Peter V. Coveney:
HEMELB Acceleration and Visualization for Cerebral Aneurysms. CoRR abs/1906.11925 (2019) - 2018
- [j52]Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha:
High-throughput binding affinity calculations at extreme scales. BMC Bioinform. 19-S(18): 33-45 (2018) - [c32]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, Shunzhou Wan, David W. Wright, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight. CCGrid 2018: 572-577 - [c31]Jumana Dakka, Kristof Farkas-Pall, Matteo Turilli, David W. Wright, Peter V. Coveney, Shantenu Jha:
Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations. eScience 2018: 189-200 - [i18]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, David W. Wright, Shunzhou Wan, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Rapid, concurrent and adaptive extreme scale binding free energy calculation. CoRR abs/1801.01174 (2018) - [i17]Sauro Succi, Peter V. Coveney:
Big Data: the End of the Scientific Method? CoRR abs/1807.09515 (2018) - [i16]David W. Wright, Robin A. Richardson, Peter V. Coveney:
Practical challenges for biomedical modeling using HPC. PeerJ Prepr. 6: e27299 (2018) - 2017
- [j51]Tuomas Puurtinen, Jukka I. Toivanen, Keijo Mattila, Jari Hyväluoma, Rupert W. Nash, Peter V. Coveney, Jussi Timonen:
Coupling of lattice-Boltzmann solvers with suspended particles using the MPI intercommunication framework. Adv. Eng. Softw. 111: 52-57 (2017) - [j50]Sebastian Schmieschek, Lev Shamardin, Stefan Frijters, Timm Krüger, Ulf D. Schiller, Jens Harting, Peter V. Coveney:
LB3D: A parallel implementation of the Lattice-Boltzmann method for simulation of interacting amphiphilic fluids. Comput. Phys. Commun. 217: 149-161 (2017) - [j49]Shunzhou Wan, Agastya Bhati, Sarah Skerratt, Kiyoyuki Omoto, Veerabahu Shanmugasundaram, Sharan K. Bagal, Peter V. Coveney:
Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation. J. Chem. Inf. Model. 57(4): 897-909 (2017) - [j48]Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra:
Multiscale computing in the exascale era. J. Comput. Sci. 22: 15-25 (2017) - [i15]Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha:
High-throughput Binding Affinity Calculations at Extreme Scales. CoRR abs/1712.09168 (2017) - 2016
- [j47]Derek Groen, Agastya Bhati, James J. Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney:
FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures. Comput. Phys. Commun. 207: 375-385 (2016) - [i14]Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra:
Multiscale Computing in the Exascale Era. CoRR abs/1612.02467 (2016) - 2015
- [j46]Mohamed A. Itani, Ulf D. Schiller, Sebastian Schmieschek, James Hetherington, Miguel O. Bernabeu, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney, Derek Groen:
An automated multiscale ensemble simulation approach for vascular blood flow. J. Comput. Sci. 9: 150-155 (2015) - [c30]Miguel O. Bernabeu, Yang Lu, Jan Lammer, Lloyd Paul Aiello, Peter V. Coveney, Jennifer K. Sun:
Characterization of parafoveal hemodynamics associated with diabetic retinopathy with adaptive optics scanning laser ophthalmoscopy and computational fluid dynamics. EMBC 2015: 8070-8073 - [c29]Tabitha K. Samuel, Shunzhou Wan, Peter V. Coveney, Morris Riedel, M. Shahbaz Memon, Sandra Gesing, Nancy Wilkins-Diehr:
Overview of XSEDE-PRACE collaborative projects in 2014. XSEDE 2015: 24:1-24:8 - [i13]Mohamed A. Itani, Ulf D. Schiller, Sebastian Schmieschek, James Hetherington, Miguel O. Bernabeu, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney, Derek Groen:
An automated multiscale ensemble simulation approach for vascular blood flow. CoRR abs/1504.07795 (2015) - [i12]Derek Groen, Agastya Bhati, James J. Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney:
FabSim: facilitating computational research through automation on large-scale and distributed e-infrastructures. CoRR abs/1512.02194 (2015) - [i11]Stefan J. Zasada, Peter V. Coveney:
A Distributed Multi-agent Market Place for HPC Compute Cycle Resource Trading. CoRR abs/1512.04343 (2015) - 2014
- [j45]Derek Groen, Stefan J. Zasada, Peter V. Coveney:
Survey of Multiscale and Multiphysics Applications and Communities. Comput. Sci. Eng. 16(2): 34-43 (2014) - [j44]Hugh S. C. Martin, Shantenu Jha, Peter V. Coveney:
Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. J. Comput. Chem. 35(9): 692-702 (2014) - [j43]Stefan J. Zasada, David Chan-Wei Chang, Ali Nasrat Haidar, Peter V. Coveney:
Flexible composition and execution of large scale applications on distributed e-infrastructures. J. Comput. Sci. 5(1): 51-62 (2014) - [j42]Joris Borgdorff, Mariusz Mamonski, Bartosz Bosak, Krzysztof Kurowski, Mohamed Ben Belgacem, Bastien Chopard, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra:
Distributed multiscale computing with MUSCLE 2, the Multiscale Coupling Library and Environment. J. Comput. Sci. 5(5): 719-731 (2014) - [c28]J. Marés, Lev Shamardin, Gabriele Weiler, Alberto Anguita, Stelios Sfakianakis, Elias Neri, Stefan J. Zasada, Norbert M. Graf, Peter V. Coveney:
p-medicine: A Medical Informatics Platform for Integrated Large Scale Heterogeneous Patient Data. AMIA 2014 - [c27]Derek Groen, David Abou Chacra, Rupert W. Nash, Jirí Jaros, Miguel O. Bernabeu, Peter V. Coveney:
Weighted Decomposition in High-Performance Lattice-Boltzmann Simulations: Are Some Lattice Sites More Equal than Others? EASC 2014: 28-38 - [i10]Derek Groen, David Abou Chacra, Rupert W. Nash, Jirí Jaros, Miguel O. Bernabeu, Peter V. Coveney:
Weighted decomposition in high-performance lattice-Boltzmann simulations: are some lattice sites more equal than others? CoRR abs/1410.4713 (2014) - 2013
- [j41]Damien Lecarpentier, Peter Wittenburg, Willem Elbers, Alberto Michelini, Riam Kanso, Peter V. Coveney, Rob Baxter:
EUDAT: A New Cross-Disciplinary Data Infrastructure for Science. Int. J. Digit. Curation 8(1): 279-287 (2013) - [j40]Morris Riedel, Peter Wittenburg, Johannes Reetz, Mark van de Sanden, Jedrzej Rybicki, Benedikt von St. Vieth, Giuseppe Fiameni, Giacomo Mariani, Alberto Michelini, Claudio Cacciari, Willem Elbers, Daan Broeder, Robert Verkerk, Elena Erastova, Michael Lautenschlaeger, Reinhard Budig, Hannes Thiemann, Peter V. Coveney, Stefan J. Zasada, Ali Nasrat Haidar, Otto Buechner, Cristina Manzano, A. Shiraz Memon, Ahmed Shiraz Memon, Heikki Helin, Jari Suhonen, Damien Lecarpentier, Kimmo Koski, Thomas Lippert:
A data infrastructure reference model with applications: towards realization of a ScienceTube vision with a data replication service. J. Internet Serv. Appl. 4(1): 1:1-1:17 (2013) - [j39]Derek Groen, James Hetherington, Hywel B. Carver, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney:
Analysing and modelling the performance of the HemeLB lattice-Boltzmann simulation environment. J. Comput. Sci. 4(5): 412-422 (2013) - [j38]Balázs Könnyü, S. Kashif Sadiq, Tamás Turányi, Rita Hírmondó, Barbara Müller, Hans-Georg Kräusslich, Peter V. Coveney, Viktor Müller:
Gag-Pol Processing during HIV-1 Virion Maturation: A Systems Biology Approach. PLoS Comput. Biol. 9(6) (2013) - [c26]Katarzyna Rycerz, Eryk Ciepiela, Grzegorz Dyk, Derek Groen, Tomasz Gubala, Daniel Harezlak, Maciej Pawlik, James J. Suter, Stefan J. Zasada, Peter V. Coveney, Marian Bubak:
Support for Multiscale Simulations with Molecular Dynamics. ICCS 2013: 1116-1125 - [c25]Chris Johnson, Anastasia V. Bochenkova, Alexander A. Granovsky, Peter J. Bond, Teresa Paramo, Tristan Glatard, William A. Romero R., Denis Friboulet, Stefan J. Zasada, Peter V. Coveney:
PRACE DECI (Distributed European Computing Initiative) Minisymposium. PARCO 2013: 805-812 - [i9]Miguel O. Bernabeu, Claudio A. Franco, Martin Jones, Jens H. Nielsen, Timm Krüger, Rupert W. Nash, Derek Groen, James Hetherington, Holger Gerhardt, Peter V. Coveney:
Computer simulations reveal complex distribution of haemodynamic forces in a mouse retina model of angiogenesis. CoRR abs/1311.1640 (2013) - [i8]Joris Borgdorff, Mariusz Mamonski, Bartosz Bosak, Krzysztof Kurowski, Mohamed Ben Belgacem, Bastien Chopard, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra:
Distributed Multiscale Computing with MUSCLE 2, the Multiscale Coupling Library and Environment. CoRR abs/1311.5740 (2013) - 2012
- [j37]Shunzhou Wan, Peter V. Coveney:
Regulation of JAK2 Activation by Janus Homology 2: Evidence from Molecular Dynamics Simulations. J. Chem. Inf. Model. 52(11): 2992-3000 (2012) - [j36]Stefan J. Zasada, Tao Wang, Ali Nasrat Haidar, Enjie Liu, Norbert M. Graf, Gordon Clapworthy, Steven Manos, Peter V. Coveney:
IMENSE: An e-infrastructure environment for patient specific multiscale data integration, modelling and clinical treatment. J. Comput. Sci. 3(5): 314-327 (2012) - [c24]Stefan J. Zasada, Ali Nasrat Haidar, Peter V. Coveney:
A Comparative Analysis of the Usability and Legal Implications of Different Patient Data Sharing Architectures. AMIA 2012 - [c23]David Chan-Wei Chang, Stefan J. Zasada, Peter V. Coveney:
The Application Hosting Environment 3.0: Simplifying biomedical simulations using RESTful web services. CBMS 2012: 1-4 - [c22]Stefan J. Zasada, Mariusz Mamonski, Derek Groen, Joris Borgdorff, Ilya Saverchenko, Tomasz Piontek, Krzysztof Kurowski, Peter V. Coveney:
Distributed Infrastructure for Multiscale Computing. DS-RT 2012: 65-74 - [c21]Peter V. Coveney, Nour W. Shublaq:
Computational Biomedicine: A Challenge for the Twenty-First Century. EFMI-STC 2012: 105-110 - [c20]Nour W. Shublaq, Peter V. Coveney:
Merging Genomic and Phenomic Data for Research and Clinical Impact. EFMI-STC 2012: 111-115 - [i7]Derek Groen, Stefan J. Zasada, Peter V. Coveney:
Survey of Multiscale and Multiphysics Applications and Communities. CoRR abs/1208.6444 (2012) - [i6]Derek Groen, James Hetherington, Hywel B. Carver, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney:
Analyzing and Modeling the Performance of the HemeLB Lattice-Boltzmann Simulation Environment. CoRR abs/1209.3972 (2012) - [i5]Hywel B. Carver, Derek Groen, James Hetherington, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney:
Coalesced communication: a design pattern for complex parallel scientific software. CoRR abs/1210.4400 (2012) - [i4]Derek Groen, Joris Borgdorff, Carles Bona-Casas, James Hetherington, Rupert W. Nash, Stefan J. Zasada, Ilya Saverchenko, Mariusz Mamonski, Krzysztof Kurowski, Miguel O. Bernabeu, Alfons G. Hoekstra, Peter V. Coveney:
Flexible composition and execution of high performance, high fidelity multiscale biomedical simulations. CoRR abs/1211.2963 (2012) - [i3]Miguel O. Bernabeu, Rupert W. Nash, Derek Groen, Hywel B. Carver, James Hetherington, Timm Krüger, Peter V. Coveney:
Choice of blood rheology model has minor impact on computational assessment of shear stress mediated vascular risk. CoRR abs/1211.5292 (2012) - 2011
- [j35]Thomas D. Hewer, Maziar M. Nekovee, Peter V. Coveney:
Universality of Performance Parameters in Vehicular ad hoc Networks. IEEE Commun. Lett. 15(9): 947-949 (2011) - [j34]Shunzhou Wan, Peter V. Coveney:
Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptor. J. Comput. Chem. 32(13): 2843-2852 (2011) - [j33]David W. Wright, Peter V. Coveney:
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 51(10): 2636-2649 (2011) - [j32]Nour Shublaq, Stefan J. Zasada, Peter V. Coveney:
Exciting Times in Computational Science. J. Comput. Sci. 2(4): 315 (2011) - [c19]Derek Groen, James J. Suter, Peter V. Coveney:
Modelling Distributed Multiscale Simulation Performance: An Application to Nanocomposites. e-Science Workshops 2011: 105-111 - [c18]Derek Groen, Stefan J. Zasada, Peter V. Coveney:
Taxonomy of Multiscale Computing Communities. e-Science Workshops 2011: 120-127 - [c17]Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin J. Pringle, Jules Wolfrat, Peter V. Coveney, Shantenu Jha:
Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences. TG 2011: 4:1-4:8 - [c16]Stefan J. Zasada, Derek Groen, Peter V. Coveney:
Developing an infrastructure to support multiscale modelling and simulation. TG 2011: 30:1-30:2 - [c15]Stefan J. Zasada, Ali Nasrat Haidar, Peter V. Coveney:
Audited credential delegation: a usable identity management solution for grid environments. TG 2011: 31:1-31:2 - 2010
- [j31]Marco D. Mazzeo, Steven Manos, Peter V. Coveney:
In situ ray tracing and computational steering for interactive blood flow simulation. Comput. Phys. Commun. 181(2): 355-370 (2010) - [j30]G. M. Doctors, Marco D. Mazzeo, Peter V. Coveney:
A computationally efficient method for simulating fluid flow in elastic pipes in three dimensions. Comput. Phys. Commun. 181(9): 1584-1592 (2010) - [j29]Thomas D. Hewer, Maziar M. Nekovee, Peter V. Coveney:
Reducing Congestion in Obstructed Highways with Traffic Data Dissemination Using Ad hoc Vehicular Networks. EURASIP J. Adv. Signal Process. 2010 (2010) - [j28]Peter V. Coveney, Giovanni Giupponi, Shantenu Jha, Steven Manos, Jon MacLaren, Stephen Pickles, R. S. Saksena, Thomas Soddemann, James L. Suter, Mary-Ann Thyveetil, Stefan J. Zasada:
Large scale computational science on federated international grids: The role of switched optical networks. Future Gener. Comput. Syst. 26(1): 99-110 (2010) - [j27]James F. Annett, Peter V. Coveney:
Special section: CompSci07, Computational Science 2007: Interdisciplinary challenges and perspectives, from the Grid to e-Science. Future Gener. Comput. Syst. 26(3): 504-505 (2010) - [j26]S. Kashif Sadiq, David W. Wright, Owain Kenway, Peter V. Coveney:
Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases. J. Chem. Inf. Model. 50(5): 890-905 (2010) - [j25]Peter M. A. Sloot, Peter V. Coveney, Jack J. Dongarra:
Preface. J. Comput. Sci. 1(1): 3-4 (2010) - [j24]Luis Fazendeiro, Bruce M. Boghosian, Peter V. Coveney, Jonas Lätt:
Unstable periodic orbits in weak turbulence. J. Comput. Sci. 1(1): 13-23 (2010) - [c14]Ali Nasrat Haidar, Stefan J. Zasada, Peter V. Coveney, Ali E. Abdallah, Bruce Beckles:
Audited credential delegation - a user-centric identity management solution for computational grid environments. IAS 2010: 222-227 - [c13]Morris Riedel, Bernd Schuller, Michael Rambadt, M. Shahbaz Memon, A. Shiraz Memon, Achim Streit, Thomas Lippert, Stefan J. Zasada, Steven Manos, Peter V. Coveney, Felix Wolf, Dieter Kranzlmüller:
Exploring the Potential of Using Multiple E-science Infrastructures with Emerging Open Standards-Based E-health Research Tools. CCGRID 2010: 341-348 - [c12]Stefan J. Zasada, Peter V. Coveney:
Computational biomedicine: The role of workflow tools. ICCS 2010: 2753-2761
2000 – 2009
- 2009
- [j23]Stefan J. Zasada, Peter V. Coveney:
Virtualizing access to scientific applications with the Application Hosting Environment. Comput. Phys. Commun. 180(12): 2513-2525 (2009) - [j22]Anne E. Trefethen, Nicholas J. Higham, Iain S. Duff, Peter V. Coveney:
Developing a High-Performance Computing/Numerical Analysis Roadmap. Int. J. High Perform. Comput. Appl. 23(4): 423-426 (2009) - [j21]Shunzhou Wan, Peter V. Coveney:
A comparative study of the COX-1 and COX-2 isozymes bound to lipid membranes. J. Comput. Chem. 30(7): 1038-1050 (2009) - [c11]Stefan J. Zasada, Peter V. Coveney:
From campus resources to federated international grids: bridging the gap with the application hosting environment. SC-GCE 2009 - [c10]Ali Nasrat Haidar, Peter V. Coveney, Ali E. Abdallah, Peter Y. A. Ryan, Bruce Beckles, J. M. Brooke, M. A. S. Jones:
Formal Modelling of a Usable Identity Management Solution for Virtual Organisations. FAVO 2009: 41-50 - 2008
- [j20]Marco D. Mazzeo, Peter V. Coveney:
HemeLB: A high performance parallel lattice-Boltzmann code for large scale fluid flow in complex geometries. Comput. Phys. Commun. 178(12): 894-914 (2008) - [j19]Daniel J. Scott, Steven Manos, Peter V. Coveney:
Design of Electroceramic Materials Using Artificial Neural Networks and Multiobjective Evolutionary Algorithms. J. Chem. Inf. Model. 48(2): 262-273 (2008) - [j18]Daniel J. Scott, Steven Manos, Peter V. Coveney, Jeremy C. H. Rossiny, Sarah Fearn, John A. Kilner, Robert C. Pullar, Neil Mc N. Alford, A.-K. Axelsson, Yong Zhang, Lifeng Chen, Shoufeng Yang, Julian R. G. Evans, M. T. Sebastian:
Functional Ceramic Materials Database: An Online Resource for Materials Research. J. Chem. Inf. Model. 48(2): 449-455 (2008) - [j17]S. Kashif Sadiq, David W. Wright, Simon J. Watson, Stefan J. Zasada, Ileana Stoica, Peter V. Coveney:
Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases. J. Chem. Inf. Model. 48(9): 1909-1919 (2008) - [c9]Peter M. A. Sloot, Peter V. Coveney, Marian Bubak, Anne-Mieke Vandamme, Breanndán Ó Nualláin, David A. van de Vijver, Charles A. Boucher:
Multi-Science Decision Support for HIV Drug Resistance Treatment. HealthGrid 2008: 188-198 - [c8]Steven Manos, Marco D. Mazzeo, Owain Kenway, Peter V. Coveney, Nicholas T. Karonis, Brian R. Toonen:
Distributed mpi cross-site run performance using mpig. HPDC 2008: 229-230 - [i2]Stefan J. Zasada, C. V. Gale, Steven Manos, Peter V. Coveney:
Supercomputing in Clinical Practice. ERCIM News 2008(74) (2008) - 2007
- [j16]Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis:
NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. Clust. Comput. 10(3): 351-364 (2007) - [j15]Peter V. Coveney, R. S. Saksena, Stefan J. Zasada, Mark McKeown, Stephen Pickles:
The application hosting environment: Lightweight middleware for grid-based computational science. Comput. Phys. Commun. 176(6): 406-418 (2007) - [c7]Gordon Clapworthy, Peter Kohl, Hans Gregerson, S. R. Thomas, Marco Viceconti, D. Rodney Hose, D. Pinney, John Fenner, Keith M. McCormack, Patricia V. Lawford, Serge L. Van Sint Jan, S. Waters, Peter V. Coveney:
Digital Human Modelling: A Global Vision and a European Perspective. HCI (12) 2007: 549-558 - 2006
- [j14]Peter V. Coveney, Gianni De Fabritiis, Matt J. Harvey, Stephen Pickles, Andrew R. Porter:
Coupled applications on distributed resources. Comput. Phys. Commun. 175(6): 389-396 (2006) - [j13]Matt J. Harvey, Daniel J. Scott, Peter V. Coveney:
An Integrated Instrument Control and Informatics System for Combinatorial Materials Research. J. Chem. Inf. Model. 46(3): 1026-1033 (2006) - [j12]Giovanni Giupponi, Peter V. Coveney:
Non-Newtonian behaviour of the gyroid mesophase: A lattice-Boltzmann study. Math. Comput. Simul. 72(2-6): 124-127 (2006) - [j11]Mar Serrano, Gianni De Fabritiis, Pep Español, Peter V. Coveney:
A stochastic Trotter integration scheme for dissipative particle dynamics. Math. Comput. Simul. 72(2-6): 190-194 (2006) - [c6]Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis:
NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. CLADE 2006: 34-42 - [c5]S. Kashif Sadiq, Stefan J. Zasada, Peter V. Coveney:
Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir. CompLife 2006: 150-161 - [c4]Matt J. Harvey, Shantenu Jha, Mary-Ann Thyveetil, Peter V. Coveney:
Using Lambda Networks to Enhance Performance of Interactive Large Simulations. e-Science 2006: 40 - [c3]Stefan J. Zasada, R. S. Saksena, Peter V. Coveney, Mark McKeown, Stephen Pickles:
Facilitating User Access to the Grid: A Lightweight Application Hosting Environment for Grid Enabled Computational Science. e-Science 2006: 50 - 2005
- [j10]Jens Harting, Matt J. Harvey, Jonathan Chin, Peter V. Coveney:
Detection and tracking of defects in the gyroid mesophase. Comput. Phys. Commun. 165(2): 97-109 (2005) - [j9]Bruce M. Boghosian, Peter V. Coveney:
Guest Editors' Introduction: Scientific Applications of Grid Computing. Comput. Sci. Eng. 7(5): 10-13 (2005) - [j8]Jonathan Chin, Matthew J. Harvey, Shantenu Jha, Peter V. Coveney:
Scientific grid computing: the first generation. Comput. Sci. Eng. 7(5): 24-32 (2005) - [j7]Bruce M. Boghosian, Peter V. Coveney:
Guest Editors' Introduction: Scientific Applications of Grid Computing, Part II. Comput. Sci. Eng. 7(6): 10-11 (2005) - [j6]Shantenu Jha, Peter V. Coveney, Charles A. Laughton:
Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer. J. Comput. Chem. 26(15): 1617-1627 (2005) - [j5]R. J. Blake, Peter V. Coveney, P. Clarke, Stephen Pickles:
The TeraGyroid experiment - Supercomputing 2003. Sci. Program. 13(1): 1-17 (2005) - [c2]Shantenu Jha, Peter V. Coveney, Matt J. Harvey:
SPICE: Simulated Pore Interactive Computing Environment. SC 2005: 70 - [i1]Jens Harting, Jonathan Chin, Maddalena Venturoli, Peter V. Coveney:
Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational grids. CoRR abs/cs/0501021 (2005) - 2004
- [j4]Jonathan Chin, Peter V. Coveney, Shantenu Jha:
The Current State of the Grid. Comput. Sci. Eng. 6(5): 75-77 (2004) - [j3]Shunzhou Wan, Peter V. Coveney, Darren R. Flower:
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. 25(15): 1803-1813 (2004)
1990 – 1999
- 1999
- [j2]B. E. P. Clement, Peter V. Coveney, M. Jessel, Peter J. Marcer:
The Brain as a Huygens Machine. Informatica (Slovenia) 23(3) (1999) - 1996
- [j1]Peter V. Coveney, Philip Fletcher, Trevor L. Hughes:
Using Artificial Neural Networks to Predict the Quality and Performance of Oil-Field Cements. AI Mag. 17(4): 41-53 (1996) - [c1]Peter V. Coveney, Trevor L. Hughes, Philip Fletcher:
Using Artificial Neural Networks to Predict the Quality and Performance of Oilfield Cements. AAAI/IAAI, Vol. 2 1996: 1471-1481
Coauthor Index
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