Peter V. Coveney

144 papers A 2B 7C 2Misc 4Journal 106Unranked 23

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	On the Reliability of AI Methods in Drug Discovery: Evaluation of Boltz-2 for Structure and Binding Affinity Prediction. CoRR Shunzhou Wan, Xibei Zhang, Xiao Xue, Peter V. Coveney
2026	J	`jnl`	Uni-Flow: a unified autoregressive-diffusion model for complex multiscale flows. CoRR Xiao Xue, Tianyue Yang, Mingyang Gao, Leyu Pan, Maida Wang, Kewei Zhu, Shuo Wang, Jiuling Li, Marco F. P. ten Eikelder, Peter V. Coveney
2025	J	`jnl`	AI Needs Physics More Than Physics Needs AI. CoRR Peter V. Coveney, Roger R. Highfield
2025	J	`jnl`	Accurately Simulating the Time Evolution of an Ising Model with Echo Verified Clifford Data Regression on a Superconducting Quantum Computer. Quantum Tim Weaving, Alexis Ralli, Peter J. Love, Sauro Succi, Peter V. Coveney
2025	J	`jnl`	Comparison of Navier-Stokes and lattice Boltzmann solvers for subject-specific modelling of intracranial aneurysms. Comput. Biol. Medicine Ivan Benemerito, Jon W. S. McCullough, Andrew J. Narracott, Peter V. Coveney, Alberto Marzo
2025	J	`jnl`	Digital twins and Big AI: the future of truly individualised healthcare. npj Digit. Medicine Peter V. Coveney, Roger R. Highfield, Eric Stahlberg, Mariano Vázquez
2025	J	`jnl`	Equivariant U-Shaped Neural Operators for the Cahn-Hilliard Phase-Field Model. CoRR Xiao Xue, Marco F. P. ten Eikelder, Tianyue Yang, Yiqing Li, Kan He, Shuo Wang, Peter V. Coveney
2025	J	`jnl`	Fast-Forward Lattice Boltzmann: Learning Kinetic Behaviour with Physics-Informed Neural Operators. CoRR Xiao Xue, Marco F. P. ten Eikelder, Mingyang Gao, Xiaoyuan Cheng, Yiming Yang, Yi He, Shuo Wang, Sibo Cheng, Yukun Hu, Peter V. Coveney
2025	J	`jnl`	Optimised Fermion-Qubit Encodings for Quantum Simulation with Reduced Transpiled Circuit Depth. CoRR Michael Williams de la Bastida, Thomas M. Bickley, Peter V. Coveney
2025	J	`jnl`	Quantum-Informed Machine Learning for Chaotic Systems. CoRR Maida Wang, Xiao Xue, Peter V. Coveney
2025	J	`jnl`	The wall confronting large language models. CoRR Peter V. Coveney, Sauro Succi
2024	J	`jnl`	A Parameter-Efficient Quantum Anomaly Detection Method on a Superconducting Quantum Processor. CoRR Maida Wang, Jinyang Jiang, Peter V. Coveney
2024	J	`jnl`	Artificial Intelligence Must Be Made More Scientific. J. Chem. Inf. Model. Peter V. Coveney, Roger R. Highfield
2024	J	`jnl`	Sharkovskii's theorem and the limits of digital computers for the simulation of chaotic dynamical systems. J. Comput. Sci. Peter V. Coveney
2024	—	`conf`	The Lattice Boltzmann Based Large Eddy Simulations for the Stenosis of the Aorta. ICCS (5) Xiao Xue, Jon W. S. McCullough, Sharp Chim Yui Lo, Ioannis Zacharoudiou, Bálint Joó, Peter V. Coveney
2023	J	`jnl`	Development and performance of a HemeLB GPU code for human-scale blood flow simulation. Comput. Phys. Commun. Ioannis Zacharoudiou, Jon W. S. McCullough, Peter V. Coveney
2023	J	`jnl`	Ensemble-Based Approaches Ensure Reliability and Reproducibility. J. Chem. Inf. Model. Shunzhou Wan, Agastya P. Bhati, Alexander D. Wade, Peter V. Coveney
2023	J	`jnl`	FabSim3: An automation toolkit for verified simulations using high performance computing. Comput. Phys. Commun. Derek Groen, Hamid Arabnejad, Diana Suleimenova, Wouter Edeling, Erwan Raffin, Yani Xue, Kevin Bronik, Nicolas Monnier, Peter V. Coveney
2023	J	`jnl`	TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal. J. Chem. Inf. Model. Mateusz K. Bieniek, Alexander D. Wade, Agastya P. Bhati, Shunzhou Wan, Peter V. Coveney
2022	—	`conf`	Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System. ICCS (4) Kevin Bronik, Werner Muller Roa, Maxime Vassaux, Wouter Edeling, Peter V. Coveney
2022	J	`jnl`	Development and performance of a HemeLB GPU code for human-scale blood flow simulation. CoRR Ioannis Zacharoudiou, Jon W. S. McCullough, Peter V. Coveney
2022	J	`jnl`	Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. J. Chem. Inf. Model. Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney
2022	J	`jnl`	Hybrid parallelization of molecular dynamics simulations to reduce load imbalance. J. Supercomput. Julian Morillo, Maxime Vassaux, Peter V. Coveney, Marta Garcia-Gasulla
2021	B	`conf`	IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. ICPP 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
2021	J	`jnl`	Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers. CoRR 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
2021	—	`conf`	Scalable HPC & AI infrastructure for COVID-19 therapeutics. PASC 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
2021	J	`jnl`	The impact of uncertainty on predictions of the CovidSim epidemiological code. Nat. Comput. Sci. Wouter Edeling, Hamid Arabnejad, Robert Sinclair, Diana Suleimenova, Krishnakumar Gopalakrishnan, Bartosz Bosak, Derek Groen, Imran Mahmood, Daan Crommelin, Peter V. Coveney
2021	J	`jnl`	Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit. J. Comput. Sci. 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
2020	J	`jnl`	From digital hype to analogue reality: Universal simulation beyond the quantum and exascale eras. J. Comput. Sci. Peter V. Coveney, Roger R. Highfield
2020	J	`jnl`	Heterogeneous System-on-Chip-Based Lattice-Boltzmann Visual Simulation System. IEEE Syst. J. Xiaojun Zhai, Minsi Chen, Sahar Soheilian Esfahani, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Robin A. Richardson, Peter V. Coveney
2020	J	`jnl`	IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads. CoRR 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
2020	J	`jnl`	Lattice-Boltzmann interactive blood flow simulation pipeline. Int. J. Comput. Assist. Radiol. Surg. 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
2020	J	`jnl`	Scalable HPC and AI Infrastructure for COVID-19 Therapeutics. CoRR 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
2020	J	`jnl`	VECMAtk: A Scalable Verification, Validation and Uncertainty Quantification Toolkit for Scientific Simulations. CoRR 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
2020	J	`jnl`	When we can trust computers (and when we can't). CoRR Peter V. Coveney, Roger R. Highfield
2019	J	`jnl`	HEMELB Acceleration and Visualization for Cerebral Aneurysms. CoRR Sahar Soheilian Esfahani, Xiaojun Zhai, Minsi Chen, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Georges Younes, Robin A. Richardson, Peter V. Coveney
2019	B	`conf`	Hemelb Acceleration and Visualization for Cerebral Aneurysms. ICIP Sahar Soheilian Esfahani, Peter V. Coveney, Xiaojun Zhai, Minsi Chen, Abbes Amira, Faycal Bensaali, Julien Abinahed, Sarada Dakua, Georges Younes, Robin A. Richardson
2019	—	`conf`	Introducing VECMAtk - Verification, Validation and Uncertainty Quantification for Multiscale and HPC Simulations. ICCS (4) 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
2019	J	`jnl`	Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation Threshold. J. Chem. Inf. Model. Robert Sinclair, Peter V. Coveney
2019	J	`jnl`	Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure. Entropy Andrew Tranter, Peter J. Love, Florian Mintert, Nathan Wiebe, Peter V. Coveney
2019	J	`jnl`	Patterns for High Performance Multiscale Computing. Future Gener. Comput. Syst. 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
2019	J	`jnl`	Towards Heterogeneous Multi-scale Computing on Large Scale Parallel Supercomputers. Supercomput. Front. Innov. Saad Alowayyed, Maxime Vassaux, Benjamin Czaja, Peter V. Coveney, Alfons G. Hoekstra
2018	J	`jnl`	Big Data: the End of the Scientific Method? CoRR Sauro Succi, Peter V. Coveney
2018	—	`conf`	Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations. eScience Jumana Dakka, Kristof Farkas-Pall, Matteo Turilli, David W. Wright, Peter V. Coveney, Shantenu Jha
2018	B	`conf`	Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight. CCGrid Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, Shunzhou Wan, David W. Wright, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha
2018	J	`jnl`	High-throughput binding affinity calculations at extreme scales. BMC Bioinform. Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha
2018	J	`jnl`	Practical challenges for biomedical modeling using HPC. PeerJ Prepr. David W. Wright, Robin A. Richardson, Peter V. Coveney
2018	J	`jnl`	Rapid, concurrent and adaptive extreme scale binding free energy calculation. CoRR Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, David W. Wright, Shunzhou Wan, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha
2017	J	`jnl`	Coupling of lattice-Boltzmann solvers with suspended particles using the MPI intercommunication framework. Adv. Eng. Softw. Tuomas Puurtinen, Jukka I. Toivanen, Keijo Mattila, Jari Hyväluoma, Rupert W. Nash, Peter V. Coveney, Jussi Timonen
2017	J	`jnl`	Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation. J. Chem. Inf. Model. Shunzhou Wan, Agastya Bhati, Sarah Skerratt, Kiyoyuki Omoto, Veerabahu Shanmugasundaram, Sharan K. Bagal, Peter V. Coveney
2017	J	`jnl`	High-throughput Binding Affinity Calculations at Extreme Scales. CoRR Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha
2017	J	`jnl`	LB3D: A parallel implementation of the Lattice-Boltzmann method for simulation of interacting amphiphilic fluids. Comput. Phys. Commun. Sebastian Schmieschek, Lev Shamardin, Stefan Frijters, Timm Krüger, Ulf D. Schiller, Jens Harting, Peter V. Coveney
2017	J	`jnl`	Multiscale computing in the exascale era. J. Comput. Sci. Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
2016	J	`jnl`	FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures. Comput. Phys. Commun. Derek Groen, Agastya Bhati, James J. Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney
2016	J	`jnl`	Multiscale Computing in the Exascale Era. CoRR Saad Alowayyed, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
2015	J	`jnl`	A Distributed Multi-agent Market Place for HPC Compute Cycle Resource Trading. CoRR Stefan J. Zasada, Peter V. Coveney
2015	J	`jnl`	An automated multiscale ensemble simulation approach for vascular blood flow. CoRR Mohamed A. Itani, Ulf D. Schiller, Sebastian Schmieschek, James Hetherington, Miguel O. Bernabeu, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney, Derek Groen
2015	J	`jnl`	An automated multiscale ensemble simulation approach for vascular blood flow. J. Comput. Sci. Mohamed A. Itani, Ulf D. Schiller, Sebastian Schmieschek, James Hetherington, Miguel O. Bernabeu, Hoskote Chandrashekar, Fergus Robertson, Peter V. Coveney, Derek Groen
2015	—	`conf`	Characterization of parafoveal hemodynamics associated with diabetic retinopathy with adaptive optics scanning laser ophthalmoscopy and computational fluid dynamics. EMBC Miguel O. Bernabeu, Yang Lu, Jan Lammer, Lloyd Paul Aiello, Peter V. Coveney, Jennifer K. Sun
2015	J	`jnl`	FabSim: facilitating computational research through automation on large-scale and distributed e-infrastructures. CoRR Derek Groen, Agastya Bhati, James J. Suter, James Hetherington, Stefan J. Zasada, Peter V. Coveney
2015	—	`conf`	Overview of XSEDE-PRACE collaborative projects in 2014. XSEDE Tabitha K. Samuel, Shunzhou Wan, Peter V. Coveney, Morris Riedel, M. Shahbaz Memon, Sandra Gesing, Nancy Wilkins-Diehr
2014	J	`jnl`	Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. J. Comput. Chem. Hugh S. C. Martin, Shantenu Jha, Peter V. Coveney
2014	J	`jnl`	Distributed multiscale computing with MUSCLE 2, the Multiscale Coupling Library and Environment. J. Comput. Sci. Joris Borgdorff, Mariusz Mamonski, Bartosz Bosak, Krzysztof Kurowski, Mohamed Ben Belgacem, Bastien Chopard, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
2014	J	`jnl`	Flexible composition and execution of large scale applications on distributed e-infrastructures. J. Comput. Sci. Stefan J. Zasada, David Chan-Wei Chang, Ali Nasrat Haidar, Peter V. Coveney
2014	J	`jnl`	Survey of Multiscale and Multiphysics Applications and Communities. Comput. Sci. Eng. Derek Groen, Stefan J. Zasada, Peter V. Coveney
2014	—	`conf`	Weighted Decomposition in High-Performance Lattice-Boltzmann Simulations: Are Some Lattice Sites More Equal than Others? EASC Derek Groen, David Abou Chacra, Rupert W. Nash, Jirí Jaros, Miguel O. Bernabeu, Peter V. Coveney
2014	J	`jnl`	Weighted decomposition in high-performance lattice-Boltzmann simulations: are some lattice sites more equal than others? CoRR Derek Groen, David Abou Chacra, Rupert W. Nash, Jirí Jaros, Miguel O. Bernabeu, Peter V. Coveney
2014	Misc	`conf`	p-medicine: A Medical Informatics Platform for Integrated Large Scale Heterogeneous Patient Data. AMIA J. Marés, Lev Shamardin, Gabriele Weiler, Alberto Anguita, Stelios Sfakianakis, Elias Neri, Stefan J. Zasada, Norbert M. Graf, Peter V. Coveney
2013	J	`jnl`	A data infrastructure reference model with applications: towards realization of a ScienceTube vision with a data replication service. J. Internet Serv. Appl. 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
2013	J	`jnl`	Analysing and modelling the performance of the HemeLB lattice-Boltzmann simulation environment. J. Comput. Sci. Derek Groen, James Hetherington, Hywel B. Carver, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney
2013	J	`jnl`	Computer simulations reveal complex distribution of haemodynamic forces in a mouse retina model of angiogenesis. CoRR 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
2013	J	`jnl`	Distributed Multiscale Computing with MUSCLE 2, the Multiscale Coupling Library and Environment. CoRR Joris Borgdorff, Mariusz Mamonski, Bartosz Bosak, Krzysztof Kurowski, Mohamed Ben Belgacem, Bastien Chopard, Derek Groen, Peter V. Coveney, Alfons G. Hoekstra
2013	J	`jnl`	EUDAT: A New Cross-Disciplinary Data Infrastructure for Science. Int. J. Digit. Curation Damien Lecarpentier, Peter Wittenburg, Willem Elbers, Alberto Michelini, Riam Kanso, Peter V. Coveney, Rob Baxter
2013	J	`jnl`	Gag-Pol Processing during HIV-1 Virion Maturation: A Systems Biology Approach. PLoS Comput. Biol. Balázs Könnyü, S. Kashif Sadiq, Tamás Turányi, Rita Hírmondó, Barbara Müller, Hans-Georg Kräusslich, Peter V. Coveney, Viktor Müller
2013	—	`conf`	PRACE DECI (Distributed European Computing Initiative) Minisymposium. PARCO 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
2013	Misc	`conf`	Support for Multiscale Simulations with Molecular Dynamics. ICCS 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
2012	Misc	`conf`	A Comparative Analysis of the Usability and Legal Implications of Different Patient Data Sharing Architectures. AMIA Stefan J. Zasada, Ali Nasrat Haidar, Peter V. Coveney
2012	J	`jnl`	Analyzing and Modeling the Performance of the HemeLB Lattice-Boltzmann Simulation Environment CoRR Derek Groen, James Hetherington, Hywel B. Carver, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney
2012	J	`jnl`	Choice of blood rheology model has minor impact on computational assessment of shear stress mediated vascular risk CoRR Miguel O. Bernabeu, Rupert W. Nash, Derek Groen, Hywel B. Carver, James Hetherington, Timm Krüger, Peter V. Coveney
2012	J	`jnl`	Coalesced communication: a design pattern for complex parallel scientific software CoRR Hywel B. Carver, Derek Groen, James Hetherington, Rupert W. Nash, Miguel O. Bernabeu, Peter V. Coveney
2012	—	`conf`	Computational Biomedicine: A Challenge for the Twenty-First Century. EFMI-STC Peter V. Coveney, Nour W. Shublaq
2012	C	`conf`	Distributed Infrastructure for Multiscale Computing. DS-RT Stefan J. Zasada, Mariusz Mamonski, Derek Groen, Joris Borgdorff, Ilya Saverchenko, Tomasz Piontek, Krzysztof Kurowski, Peter V. Coveney
2012	J	`jnl`	Flexible composition and execution of high performance, high fidelity multiscale biomedical simulations CoRR 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
2012	J	`jnl`	IMENSE: An e-infrastructure environment for patient specific multiscale data integration, modelling and clinical treatment. J. Comput. Sci. Stefan J. Zasada, Tao Wang, Ali Nasrat Haidar, Enjie Liu, Norbert M. Graf, Gordon Clapworthy, Steven Manos, Peter V. Coveney
2012	—	`conf`	Merging Genomic and Phenomic Data for Research and Clinical Impact. EFMI-STC Nour W. Shublaq, Peter V. Coveney
2012	J	`jnl`	Regulation of JAK2 Activation by Janus Homology 2: Evidence from Molecular Dynamics Simulations. J. Chem. Inf. Model. Shunzhou Wan, Peter V. Coveney
2012	J	`jnl`	Survey of Multiscale and Multiphysics Applications and Communities CoRR Derek Groen, Stefan J. Zasada, Peter V. Coveney
2012	B	`conf`	The Application Hosting Environment 3.0: Simplifying biomedical simulations using RESTful web services. CBMS David Chan-Wei Chang, Stefan J. Zasada, Peter V. Coveney
2011	—	`conf`	Audited credential delegation: a usable identity management solution for grid environments. TG Stefan J. Zasada, Ali Nasrat Haidar, Peter V. Coveney
2011	—	`conf`	Developing an infrastructure to support multiscale modelling and simulation. TG Stefan J. Zasada, Derek Groen, Peter V. Coveney
2011	J	`jnl`	Exciting Times in Computational Science. J. Comput. Sci. Nour Shublaq, Stefan J. Zasada, Peter V. Coveney
2011	—	`conf`	Modelling Distributed Multiscale Simulation Performance: An Application to Nanocomposites. e-Science Workshops Derek Groen, James J. Suter, Peter V. Coveney
2011	J	`jnl`	Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptor. J. Comput. Chem. Shunzhou Wan, Peter V. Coveney
2011	J	`jnl`	Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. J. Chem. Inf. Model. David W. Wright, Peter V. Coveney
2011	—	`conf`	Taxonomy of Multiscale Computing Communities. e-Science Workshops Derek Groen, Stefan J. Zasada, Peter V. Coveney
2011	—	`conf`	Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences. TG Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin J. Pringle, Jules Wolfrat, Peter V. Coveney, Shantenu Jha
2011	J	`jnl`	Universality of Performance Parameters in Vehicular ad hoc Networks. IEEE Commun. Lett. Thomas D. Hewer, Maziar M. Nekovee, Peter V. Coveney
2010	J	`jnl`	A computationally efficient method for simulating fluid flow in elastic pipes in three dimensions. Comput. Phys. Commun. G. M. Doctors, Marco D. Mazzeo, Peter V. Coveney
2010	J	`jnl`	Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases. J. Chem. Inf. Model. S. Kashif Sadiq, David W. Wright, Owain Kenway, Peter V. Coveney
2010	C	`conf`	Audited credential delegation - a user-centric identity management solution for computational grid environments. IAS Ali Nasrat Haidar, Stefan J. Zasada, Peter V. Coveney, Ali E. Abdallah, Bruce Beckles
2010	Misc	`conf`	Computational biomedicine: The role of workflow tools. ICCS Stefan J. Zasada, Peter V. Coveney
2010	B	`conf`	Exploring the Potential of Using Multiple E-science Infrastructures with Emerging Open Standards-Based E-health Research Tools. CCGRID 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
2010	J	`jnl`	In situ ray tracing and computational steering for interactive blood flow simulation. Comput. Phys. Commun. Marco D. Mazzeo, Steven Manos, Peter V. Coveney
2010	J	`jnl`	Large scale computational science on federated international grids: The role of switched optical networks. Future Gener. Comput. Syst. 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
2010	J	`jnl`	Preface. J. Comput. Sci. Peter M. A. Sloot, Peter V. Coveney, Jack J. Dongarra
2010	J	`jnl`	Reducing Congestion in Obstructed Highways with Traffic Data Dissemination Using Ad hoc Vehicular Networks. EURASIP J. Adv. Signal Process. Thomas D. Hewer, Maziar M. Nekovee, Peter V. Coveney
2010	J	`jnl`	Special section: CompSci07, Computational Science 2007: Interdisciplinary challenges and perspectives, from the Grid to e-Science. Future Gener. Comput. Syst. James F. Annett, Peter V. Coveney
2010	J	`jnl`	Unstable periodic orbits in weak turbulence. J. Comput. Sci. Luis Fazendeiro, Bruce M. Boghosian, Peter V. Coveney, Jonas Lätt
2009	J	`jnl`	A comparative study of the COX-1 and COX-2 isozymes bound to lipid membranes. J. Comput. Chem. Shunzhou Wan, Peter V. Coveney
2009	J	`jnl`	Developing a High-Performance Computing/Numerical Analysis Roadmap. Int. J. High Perform. Comput. Appl. Anne E. Trefethen, Nicholas J. Higham, Iain S. Duff, Peter V. Coveney
2009	—	`conf`	Formal Modelling of a Usable Identity Management Solution for Virtual Organisations FAVO Ali Nasrat Haidar, Peter V. Coveney, Ali E. Abdallah, Peter Y. A. Ryan, Bruce Beckles, J. M. Brooke, M. A. S. Jones
2009	—	`conf`	From campus resources to federated international grids: bridging the gap with the application hosting environment. SC-GCE Stefan J. Zasada, Peter V. Coveney
2009	J	`jnl`	Virtualizing access to scientific applications with the Application Hosting Environment. Comput. Phys. Commun. Stefan J. Zasada, Peter V. Coveney
2008	J	`jnl`	Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases. J. Chem. Inf. Model. S. Kashif Sadiq, David W. Wright, Simon J. Watson, Stefan J. Zasada, Ileana Stoica, Peter V. Coveney
2008	J	`jnl`	Design of Electroceramic Materials Using Artificial Neural Networks and Multiobjective Evolutionary Algorithms. J. Chem. Inf. Model. Daniel J. Scott, Steven Manos, Peter V. Coveney
2008	A	`conf`	Distributed mpi cross-site run performance using mpig. HPDC Steven Manos, Marco D. Mazzeo, Owain Kenway, Peter V. Coveney, Nicholas T. Karonis, Brian R. Toonen
2008	J	`jnl`	Functional Ceramic Materials Database: An Online Resource for Materials Research. J. Chem. Inf. Model. 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
2008	J	`jnl`	HemeLB: A high performance parallel lattice-Boltzmann code for large scale fluid flow in complex geometries. Comput. Phys. Commun. Marco D. Mazzeo, Peter V. Coveney
2008	—	`conf`	Multi-Science Decision Support for HIV Drug Resistance Treatment. HealthGrid Peter M. A. Sloot, Peter V. Coveney, Marian Bubak, Anne-Mieke Vandamme, Breanndán Ó Nualláin, David A. van de Vijver, Charles A. Boucher
2008	J	`jnl`	Supercomputing in Clinical Practice. ERCIM News Stefan J. Zasada, C. V. Gale, Steven Manos, Peter V. Coveney
2007	—	`conf`	Digital Human Modelling: A Global Vision and a European Perspective. HCI (12) 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
2007	J	`jnl`	NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. Clust. Comput. Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis
2007	J	`jnl`	The application hosting environment: Lightweight middleware for grid-based computational science. Comput. Phys. Commun. Peter V. Coveney, R. S. Saksena, Stefan J. Zasada, Mark McKeown, Stephen Pickles
2006	J	`jnl`	A stochastic Trotter integration scheme for dissipative particle dynamics. Math. Comput. Simul. Mar Serrano, Gianni De Fabritiis, Pep Español, Peter V. Coveney
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`	Facilitating User Access to the Grid: A Lightweight Application Hosting Environment for Grid Enabled Computational Science. e-Science Stefan J. Zasada, R. S. Saksena, Peter V. Coveney, Mark McKeown, Stephen Pickles
2006	—	`conf`	Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir. CompLife S. Kashif Sadiq, Stefan J. Zasada, Peter V. Coveney
2006	—	`conf`	NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications. CLADE Bruce M. Boghosian, Peter V. Coveney, Suchuan Dong, Lucas Finn, Shantenu Jha, George E. Karniadakis, Nicholas T. Karonis
2006	J	`jnl`	Non-Newtonian behaviour of the gyroid mesophase: A lattice-Boltzmann study. Math. Comput. Simul. Giovanni Giupponi, Peter V. Coveney
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	J	`jnl`	Force field validation for nucleic acid simulations: Comparing energies and dynamics of a DNA dodecamer. J. Comput. Chem. Shantenu Jha, Peter V. Coveney, Charles A. Laughton
2005	J	`jnl`	Guest Editors' Introduction: Scientific Applications of Grid Computing, Part II. Comput. Sci. Eng. Bruce M. Boghosian, Peter V. Coveney
2005	J	`jnl`	Guest Editors' Introduction: Scientific Applications of Grid Computing. Comput. Sci. Eng. Bruce M. Boghosian, Peter V. Coveney
2005	J	`jnl`	Large-scale lattice Boltzmann simulations of complex fluids: advances through the advent of computational grids CoRR Jens Harting, Jonathan Chin, Maddalena Venturoli, Peter V. Coveney
2005	A	`conf`	SPICE: Simulated Pore Interactive Computing Environment. SC Shantenu Jha, Peter V. Coveney, Matt J. Harvey
2005	J	`jnl`	Scientific grid computing: the first generation. Comput. Sci. Eng. Jonathan Chin, Matthew J. Harvey, Shantenu Jha, Peter V. Coveney
2005	J	`jnl`	The TeraGyroid experiment - Supercomputing 2003. Sci. Program. R. J. Blake, Peter V. Coveney, P. Clarke, Stephen Pickles
2004	J	`jnl`	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. Shunzhou Wan, Peter V. Coveney, Darren R. Flower
2004	J	`jnl`	The Current State of the Grid. Comput. Sci. Eng. Jonathan Chin, Peter V. Coveney, Shantenu Jha
1999	J	`jnl`	The Brain as a Huygens Machine. Informatica (Slovenia) B. E. P. Clement, Peter V. Coveney, Maurice Jessel, Peter J. Marcer
1996	J	`jnl`	Using Artificial Neural Networks to Predict the Quality and Performance of Oil-Field Cements. AI Mag. Peter V. Coveney, Philip Fletcher, Trevor L. Hughes
1996	—	`conf`	Using Artificial Neural Networks to Predict the Quality and Performance of Oilfield Cements. AAAI/IAAI, Vol. 2 Peter V. Coveney, Trevor L. Hughes, Philip Fletcher