Deliverables Websites, patent fillings, videos etc. (1) EoCoE-II project website First implementation of the project website Documents, reports (23) Joint EERA-EoCoE position paper on HPC for Energy The document reports the results of the joint EERAEoCoE collaboration in establishing a permanent liaison and common set of activities between the two organizations Second ECG report Second report of the Exascale Codesign group Application mid-term outcome Application mid-term outcome: progress in code optimization, performance evaluation results and directions for the second part of the project (Report, code DEM, PU) Application starter outcome Application starter outcome: preliminary performance evaluation results and first optimization roadmap Final report on I/O improvement for EoCoE codes Final report on improved IO capabilities and increased performance Data management handbook Collection of guidelines and best practices on data management issues concerning the scientific communities impacted by EoCoEII Preliminary results Preliminary results and performance evaluation of LA solvers Final versions of LA solvers Final versions of LA solvers with documentation and performance evaluation Updated results Updated results and new releases of LA solvers Report on agreed dissemination strategy The report describes the dissemination strategy which the partners intend to adopt and pursue in the project Report on data interface and in-situ capabilities Report covering the achievements of the new PDI capabilities as designed withinTask 411 Task 412 Task 416 and on general insitu capabilities within Task 441 of WP4 Application final project outcome Application final project outcome Report code DEM PU Mid-term Impact assessment report Midterm Impact assessment report Final Impact assessment report Final Impact assessment report First scientific results and progress on exascale tools Progress report exascale application enabling and first scientific results achieved with new codes. Deliverable will include codes and demonstrators as well as written report. Final assessment report on dissemination, communication and networking The report collects contributions from all tasks to describe the activities carried out in the final 18 months of the project Final scientific results and exascale tools delivery Final report on exascale application delivery including flagship codes ALYA ESIAS EURADIM PVnegf KMCDMC ParFlow SHEMATSuite and Gysela Scientific results with these and other satellite codes will also be reported Deliverable will include codes and demonstrators as well as written report Co-design of LA solvers Codesign of LA solvers Specification of characteristics and interfaces of the LA solvers for all target applications First assessment report on dissemination, communication and networking The report collects contributions from all tasks to describe the activities carried out in the first 18 months of the project Intermediate report on I/O improvement for EoCoE codes Intermediate report covering all I/O related improvements for EoCoE codes within the WP4 activities for the first 18 month and it provides a status update on all ongoing activties. First ECG report First report of the exascale co-design group Report on I/O optimization and fault tolerance Report covering performance improvements achieved within task 2 and new types of improved fault tolerance capabilities within task 3 of WP 4 Scientific objectives and roadmap Assessment of scientific objectives and roadmap for each flagship and satellite application Publications Conference proceedings (12) "Interplay between core, edge and scrape-off layer in turbulent magnetised plasmas: Lessons learnt from an information theoretic measure, the ""transfer entropy"" to assess causality in nonlinear plasma dynamics" Author(s): Dif-Pradalier, G.; Ph. Ghendrih; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Munschy, Y.; Varennes, R.; laure vermare; Camenen, Y.; Widmer, F. Published in: HAL Open Science - FEC 2020 - IAEA Fusion Energy Conference, May 2021, E-Conference, France, 2021 Publisher: CEA - articles scientifiques en libre accès AMG4PSBLAS Linear Algebra Package brings Alya one step closer to Exascale Author(s): H. Owen; G. Houzeaux; F. Durastante; S. Filippone; P. D'Ambra Published in: 32nd International Conference on Parallel Computational Fluid Dynamics (ParCFD), Virtual, May 17-19, 2021, 2021 Publisher: CNR Using GPUs for Determining the Energy Configuration of Superconducting Vortex Lattices with Stochastic Methods Author(s): Noelia Molero-Puerto, Rafael Mayo-García Published in: Proceedings of the 2019 Winter Simulation Conference (WSC), 2020, ISBN 978-1-7281-3283-9 Publisher: IEEE DOI: 10.1109/wsc40007.2019.9004672 A Combined Classical Molecular Dynamics Simulations and AB Initio Calculations Approach to Study A-SI:H/C-SI Interfaces Author(s): Francesco Buonocore; Simone Giusepponi; Massimo Celino; Pablo Luis Garcia-Muller; Rafael Mayo-Garcia Published in: Proceedings of the 2020 Winter Simulation Conference (WSC), 2021, ISBN 978-1-7281-9499-8 Publisher: IEEE DOI: 10.1109/wsc48552.2020.9383917 The ALEX17 diurnal cycles in complex terrain benchmark Author(s): J Sanz Rodrigo; J Sanz Rodrigo; Pedro A. Santos; R Chávez Arroyo; Matias Avila; Dalibor Cavar; Oriol Lehmkuhl; Herbert Owen; R Li; E Tromeur Published in: Journal of Physics: Conference Series, Issue 17426596, 2021, ISSN 1742-6596 Publisher: IOP Science DOI: 10.1088/1742-6596/1934/1/012002 The Challenges of In Situ Analysis for Multiple Simulations Author(s): Alejandro Ribes; Bruno Raffin Published in: ISAV'20: ISAV'20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, 2020, Page(s) 32-37, ISBN 978-1-4503-8812-2 Publisher: Association for Computing Machinery DOI: 10.1145/3426462.3426468 DEISA: Dask-Enabled In Situ Analytics Author(s): Amal Gueroudji; Julien Bigot; Bruno Raffin Published in: 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics (HiPC), 2022, ISBN 978-1-6654-1016-8 Publisher: IEEE DOI: 10.1109/hipc53243.2021.00015 Scalable AMG Preconditioners for Computational Science at Extreme Scale Author(s): D'Ambra P; Durastante F; Filippone S Published in: National Congress of SIMAI 2020-2021, 2021 Publisher: CNR Design and Study of Elastic Recovery in HPC Applications Author(s): Kai Keller; Konstantinos Parasyris; Leonardo Bautista-Gomez Published in: IEEE Xplore - HiPC, 2021, ISBN 978-1-6654-2292-5 Publisher: Institute of Electrical and Electronics Engineers (IEEE) DOI: 10.1109/hipc50609.2020.00040 Non-Equilibrium Green Functions Approach to Study Transport Through a-Si:H/c-Si Interfaces Author(s): Alessandro Pecchia; Francesco Buonocore; Massimo Celino; Simone Giusepponi; Edoardo Di Napoli; Sebastian Achilles; Pablo Luis Garcia-Muller; Rafael Mayo-Garcia Published in: IEEE Xplore - Proceedings of the 2021 Winter Simulation Conference, 2022, ISBN 978-1-6654-3311-2 Publisher: IEEE DOI: 10.1109/wsc52266.2021.9715484 Towards Zero-Waste Recovery and Zero-Overhead Checkpointing in Ensemble Data Assimilation Author(s): Keller, Kai Rasmus; Cristal Kestelman, Adrián; Bautista Gomez, Leonardo Arturo Published in: IEEE Xplore, 2021, ISBN 978-1-6654-1016-8 Publisher: IEEE DOI: 10.1109/hipc53243.2021.00027 an evaluation of SIONlib with IME Author(s): Konstantinos Chasapis; Jean-Thomas Acquaviva; Sebastian Lührs Published in: CHEOPS'21 Proceedings of the Workshop on Challenges and Opportunities of Efficient and Performant Storage Systems, 2021, Page(s) 1-8, ISBN 978-1-4503-8302-8 Publisher: Association for Computing Machinery DOI: 10.1145/3439839.3458736 Other (6) On the Quality of Matching-based Aggregates for Algebraic Coarsening of SPD Matrices in AMG Author(s): D'Ambra P.; Durastante F.; Filippone S. Published in: ResarchGate - Working paper, 2020 Publisher: ResearchGate Deducing the key physical properties of a perovskite solar cell from its impedance response: insights from drift-diffusion modelling Author(s): Riquelme, Antonio; Bennett, Laurence J.; Courtier, Nicola E.; Wolf, Matthew J.; Contreras-Bernal, Lidia; Walker, Alison; Richardson, Giles; Anta, Juan A. Published in: ResearchGate, 2020 Publisher: ResearchGate DOI: 10.48550/arxiv.2003.07386 Description of the model Application to 2D transport modelling Application to 3D turbulence modelling Author(s): Bufferand, H.; Tamain, P.; Baschetti, S.; Ciraolo, G.; Fedorczak, N.; Gallo, A.; Ghendrih, Ph; Giorgiani, G; Marandet, Y.; Notay, Y; Schwander, F.; Scotto, M.; Serre, E. Published in: CEA posters, 2020 Publisher: CEA Non-Uniform Splines for Semi-Lagrangian Kinetic Simulations of the Plasma Sheath Author(s): Bourne, Emily; Munschy, Yann; Grandgirard, Virginie; Mehrenberger, Michel; Ghendrih, Philippe Published in: CEA - Pre-pub, 2022 Publisher: CEA Preconditioning Richards Equations: spectral analysis and parallel solution at very large scale Author(s): D'Ambra P; Durastante F; Filippone S Published in: Working paper, 2021 Publisher: CNR Impact of divertor configuration on tokamak performances: focus on WEST experiments supported by SOLEDGE2D modeling Author(s): Ciraolo, G.; Mao, R; Fedorczak, N.; Gunn, J.; Bufferand, H.; Bucalossi, J.; Baschetti, S.; Gallo, A.; Marandet, Y.; Serre, E.; Tamain, P.; Tsitrone, E.; Team, WEST Published in: Third IAEA Technical Meeting on Divertor Concepts (DC 2019) - Poster, 2022 Publisher: CEA Peer reviewed articles (43) Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties Author(s): Simone Brozzesi; Claudio Attaccalite; Francesco Buonocore; Giacomo Giorgi; Maurizia Palummo; Olivia Pulci Published in: Nanomaterials, Issue 20794991, 2022, ISSN 2079-4991 Publisher: MDPI DOI: 10.3390/nano12122118 3D-to-2D Transition of Anion Vacancy Mobility in CsPbBr3 under Hydrostatic Pressure Author(s): Thijs J. A. M. Smolders, Alison B. Walker, Matthew J. Wolf Published in: The Journal of Physical Chemistry Letters, Issue 19487185, 2021, Page(s) 5169-5177, ISSN 1948-7185 Publisher: American Chemical Society DOI: 10.1021/acs.jpclett.1c00554 Investigation of tokamak turbulent avalanches using wave-kinetic formulation in toroidal geometry Author(s): C. Gillot; Guilhem Dif-Pradalier; Xavier Garbet; Olivier Panico; Yanick Sarazin; R Varennes; David Zarzoso Published in: Journal of Plasma Physics, Cambridge University Press (CUP), 2021, Issue 00223778, 2021, ISSN 0022-3778 Publisher: Cambridge University Press DOI: 10.1017/s0022377821000350 A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile Author(s): Kyle G. Reeves, Alessandra Serva, Guillaume Jeanmairet and Mathieu Salanne Published in: Physical Chemistry Chemical Physics, Issue 14639076, 2022, ISSN 1463-9076 Publisher: Royal Society of Chemistry DOI: 10.1039/c9cp06658f Quantum Monte Carlo determination of the principal Hugoniot of deuterium Author(s): Michele Ruggeri, Markus Holzmann, David M. Ceperley, Carlo Pierleoni Published in: Physical Review B, Issue 102/14, 2020, ISSN 2469-9950 Publisher: American Physical Society DOI: 10.1103/physrevb.102.144108 Energy-minimizing, symmetric finite differences for anisotropic meshes and energy functional extrapolation Author(s): Kühn, Martin Joachim; Kruse, Carola; Rüde, Ulrich Published in: SIAM Journal on Scientific Computing, Issue 10648275, 2021, Page(s) 448-473, ISSN 1064-8275 Publisher: Society for Industrial and Applied Mathematics DOI: 10.1137/21m1397520 A 3 km spatially and temporally consistent European daily soil moisture reanalysis from 2000 to 2015 Author(s): Naz, Bibi S.; Kollet, Stefan; Franssen, Harrie-Jan Hendricks; Montzka, Carsten; Kurtz, Wolfgang Published in: Scientific Data, V, Issue 20524463, 2020, Page(s) 1-14, ISSN 2052-4463 Publisher: Nature Research DOI: 10.6084/m9.figshare.11993547 Defect tolerant device geometries for lead-halide perovskites Author(s): B. Das; B. Das; Zhi-Fa Liu; Irene Aguilera; Uwe Rau; Uwe Rau; Thomas Kirchartz; Thomas Kirchartz Published in: Materials advances, Issue 26335409, 2021, ISSN 2633-5409 Publisher: Royal Society of Chemistry DOI: 10.1039/d0ma00902d Skewed and Mixture of Gaussian Distributions for Ensemble Postprocessing Author(s): Maxime Taillardat Published in: Atmosphere, Issue 20734433, 2021, ISSN 2073-4433 Publisher: Rotoweb Cantelli DOI: 10.3390/atmos12080966 Combining Hydrologic Simulations and Stream-network Models to Reveal Flow-ecology Relationships in a Large Alpine Catchment Author(s): Stefano Larsen; Bruno Majone; Patrick Zulian; Elisa Stella; Alberto Bellin; Maria Cristina Bruno; Guido Zolezzi Published in: Water Resources Reseach, Issue 19447973, 2021, ISSN 1944-7973 Publisher: AGU Journals DOI: 10.1029/2020wr028496 A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles Author(s): William Robert Saunders, James Grant, Eike Hermann Müller Published in: Journal of Computational Physics, Issue 00219991, 2021, ISSN 0021-9991 Publisher: Academic Press DOI: 10.1016/j.jcp.2020.110099 Semiconductivity Transition in Silicon Nanowires by Hole Transport Layer. Author(s): Awad Shalabny; Francesco Buonocore; Massimo Celino; Gil Shalev; Lu Zhang; Weiwei Wu; Peixian Li; Jordi Arbiol; Muhammad Y. Bashouti Published in: Nano Lett., Issue 15306984, 2020, Page(s) 8369-8374, ISSN 1530-6984 Publisher: American Chemical Society DOI: 10.1021/acs.nanolett.0c03543 Multi-scale simulation of the adsorption of lithium ion on graphite surface: From quantum Monte Carlo to molecular density functional theory Author(s): Michele Ruggeri, Kyle Reeves, Tzu-Yao Hsu, Guillaume Jeanmairet, Mathieu Salanne, and Carlo Pierleoni Published in: The Journal of Chemical Physics, Issue 00219606, 2022, ISSN 0021-9606 Publisher: American Institute of Physics DOI: 10.1063/5.0082944 AMG preconditioners for Linear Solvers towards Extreme Scale Author(s): D'Ambra P.; Durastante F.; Filippone S. Published in: 2020, Issue 10648275, 2021, Page(s) 679-703, ISSN 1064-8275 Publisher: Society for Industrial and Applied Mathematics DOI: 10.1137/20m134914x Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons Author(s): M. Barberio, S. Giusepponi, S. Vallières, M. Scisció, M. Celino & P. Antici Published in: Scientific Reports, Issue 20452322, 2020, ISSN 2045-2322 Publisher: Nature Publishing Group DOI: 10.1038/s41598-020-65282-9 A dual-layer MPI continuous large-scale hydrological model including Human Systems Author(s): Diego Avesania, Andrea Galletti, Sebastiano Piccolroaz, Alberto Bellin, Bruno Majone Published in: Environmental Modelling & Software, Issue 13648152, 2021, ISSN 1364-8152 Publisher: Elsevier BV DOI: 10.1016/j.envsoft.2021.105003 Synergy of Turbulent Momentum Drive and Magnetic Braking Author(s): R. Varennes; X. Garbet; L. Vermare; Y. Sarazin; G. Dif-Pradalier; V. Grandgirard; P. Ghendrih; P. Donnel; M. Peret; K. Obrejan; E. Bourne Published in: Physical Review Letters, Issue 00319007, 2022, ISSN 0031-9007 Publisher: American Physical Society DOI: 10.1103/physrevlett.128.255002 Identification of recombination losses and charge collection efficiency in a perovskite solar cell by comparing impedance response to a drift-diffusion model. Author(s): Antonio Riquelme; Laurence J. Bennett; Nicola E. Courtier; Matthew J. Wolf; Lidia Contreras-Bernal; Alison B. Walker; Giles Richardson; Juan A. Anta Published in: Nanoscale, Issue 20403372, 2020, ISSN 2040-3372 Publisher: Royal Society of Chemistry DOI: 10.1039/d0nr03058a Room-Temperature Halide Perovskite Field-Effect Transistors by Ion Transport Mitigation Author(s): Beomjin Jeong, Lothar Veith, Thijs J. A. M. Smolders, Matthew J. Wolf, Kamal Asadi Published in: Advanced Materials, Issue 15214095, 2021, ISSN 1521-4095 Publisher: Wiley-VCH GmbH, Weinheim DOI: 10.1002/adma.202100486 Implementation of multi-component Zhdanov closure in SOLEDGE3X Author(s): H Bufferand; J Balbin; S Baschetti; J Bucalossi; G Ciraolo; Ph Ghendrih; R Mao; N Rivals; P Tamain; H Yang; G Giorgiani; F Schwander; M Scotto d’Abusco; E Serre; J Denis; Y Marandet; M Raghunathan; P Innocente; D Galassi Published in: Plasma Physics and Controlled Fusion, Issue 07413335, 2022, ISSN 0741-3335 Publisher: Institute of Physics Publishing DOI: 10.1088/1361-6587/ac4fac Quantifying polaronic effects on charge-carrier scattering and mobility in lead--halide perovskites Author(s): Wolf, Matthew J.; Irvine, Lewis A. D.; Walker, Alison B. Published in: Physical Review B, Issue 24699950, 2021, ISSN 2469-9950 Publisher: American Physical Society DOI: 10.1103/physrevb.103.l220305 Deducing transport properties of mobile vacancies from perovskite solar cell characteristics Author(s): James M. Cave, Nicola E. Courtier, Isabelle A. Blakborn, Timothy W. Jones, Dibyajyoti Ghosh, Kenrick F. Anderson, Liangyou Lin, Andrew A. Dijkhoff, Gregory J. Wilson, Krishna Feron, M. Saiful Islam, Jamie M. Foster, Giles Richardson, and Alison B. Walker Published in: Journals of Applied Physics, Issue 00218979, 2020, ISSN 0021-8979 Publisher: American Institute of Physics DOI: 10.1063/5.0021849 Wall‐modeled large‐eddy simulation in a finite element framework Author(s): Herbert Owen, Georgios Chrysokentis, Matias Avila, Daniel Mira, Guillaume Houzeaux, Ricard Borrell, Juan Carlos Cajas, Oriol Lehmkuhl Published in: International Journal for Numerical Methods in Fluids, Issue 92/1, 2019, Page(s) 20-37, ISSN 0271-2091 Publisher: John Wiley & Sons Inc. DOI: 10.1002/fld.4770 AMG based on compatible weighted matching for GPUs Author(s): Massimo Bernaschi, Pasqua D’Ambra, Dario Pasquini Published in: Parallel Computing, Issue 92, 2020, Page(s) 102599, ISSN 0167-8191 Publisher: Elsevier BV DOI: 10.1016/j.parco.2019.102599 Linear collisionless dynamics of the GAM with kinetic electrons: Comparison simulations/theory Author(s): V. Grandgirard, X. Garbet, Ch. Ehrlacher, A. Biancalani, A. Bottino, I. Novikau, Y. Asahi, E. Caschera, G. Dif-Pradalier, P. Donnel, Ph. Ghendrih, C. Gillot, G. Latu, Ch. Passeron, Y. Sarazin, D. Zarzoso Published in: Physics of Plasmas, Issue 26/12, 2019, Page(s) 122304, ISSN 1070-664X Publisher: American Institute of Physics DOI: 10.1063/1.5113679 Execution data logs of a supercomputer workload over its extended lifetime Author(s): Manuel Rodríguez-Pascual, Antonio J. Rubio-Montero, José A. Moríñigo, Rafael Mayo-García Published in: Data in Brief, Issue 28, 2020, Page(s) 105006, ISSN 2352-3409 Publisher: Elsevier BV DOI: 10.1016/j.dib.2019.105006 Improving solve time of aggregation‐based adaptive AMG Author(s): Pasqua D'Ambra, Panayot S. Vassilevski Published in: Numerical Linear Algebra with Applications, Issue 26/6, 2019, ISSN 1070-5325 Publisher: John Wiley & Sons Inc. DOI: 10.1002/nla.2269 Fast electrostatic solvers for kinetic Monte Carlo simulations Author(s): William Robert Saunders, James Grant, Eike Hermann Müller, Ian Thompson Published in: Journal of Computational Physics, Issue 410, 2020, Page(s) 109379, ISSN 0021-9991 Publisher: Academic Press DOI: 10.1016/j.jcp.2020.109379 Parallel adaptive FETI‐DP using lightweight asynchronous dynamic load balancing Author(s): Axel Klawonn, Martin J. Kühn, Oliver Rheinbach Published in: International Journal for Numerical Methods in Engineering, Issue 121/4, 2019, Page(s) 621-643, ISSN 0029-5981 Publisher: John Wiley & Sons Inc. DOI: 10.1002/nme.6237 What is a deep defect? Combining Shockley-Read-Hall statistics with multiphonon recombination theory Author(s): Basita Das, Irene Aguilera, Uwe Rau, Thomas Kirchartz Published in: Physical Review Materials, Issue 4/2, 2020, ISSN 2475-9953 Publisher: APS Physics DOI: 10.1103/physrevmaterials.4.024602 A 3 km spatially and temporally consistent European daily soil moisture reanalysis from 2000 to 2015 Author(s): Bibi S. Naz, Stefan Kollet, Harrie-Jan Hendricks Franssen, Carsten Montzka, Wolfgang Kurtz Published in: Scientific Data, Issue 7/1, 2020, ISSN 2052-4463 Publisher: Nature Research DOI: 10.1038/s41597-020-0450-6 SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media Author(s): Johannes Keller, Volker Rath, Johanna Bruckmann, Darius Mottaghy, Christoph Clauser, Andreas Wolf, Ralf Seidler, H. Martin Bücker, Norbert Klitzsch Published in: SoftwareX, Issue 12, 2020, Page(s) 100533, ISSN 2352-7110 Publisher: Elsevier DOI: 10.1016/j.softx.2020.100533 Wall‐modeled large‐eddy simulation in a finite element framework Author(s): Herbert Owen; Georgios Chrysokentis; Matias Avila; Daniel Mira; Guillaume Houzeaux; R. Borrell; J.C. Cajas; Oriol Lehmkuhl Published in: International Journal for Numerical Methods in Fluids, Issue 10970363, 2020, Page(s) 20-37, ISSN 1097-0363 Publisher: John Wiley & Sons DOI: 10.1002/fld.4770 Implicitly extrapolated geometric multigrid on disk-like domains for the gyrokinetic Poisson equation from fusion plasma applications Author(s): Martin J Kühn; Ulrich Ruede; Carola Kruse Published in: Journal of Scientific Computing, Issue 08857474, 2022, ISSN 0885-7474 Publisher: Kluwer Academic/Plenum Publishers DOI: 10.1007/s10915-022-01802-1 Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study. Author(s): Francesco Buonocore; Andrea Capasso; Massimo Celino; Nicola Lisi; Olivia Pulci Published in: Journal of Physical Chemistry, Issue 19327447, 2021, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.1c04397 Enhancing the electronic properties of VLS-grown silicon nanowires by surface charge transfer Author(s): Awad Shalabny, Francesco Buonocore, Massimo Celino, Lu Zhang, Kasra Sardashti, Michael Härth, Dirk W. Schubert, Muhammad Y. Bashouti Published in: Applied Surface Science, Issue 01694332, 2022, ISSN 0169-4332 Publisher: Elsevier BV DOI: 10.1016/j.apsusc.2022.153957 MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems Author(s): Abel Marin-Laflèche; Matthieu Haefele; Laura Scalfi; Alessandro Coretti; Thomas Dufils; Guillaume Jeanmairet; Stewart K. Reed; Alessandra Serva; Roxanne Berthin; Camille Bacon; Sara Bonella; Benjamin Rotenberg; Paul A. Madden; Mathieu Salanne Published in: The Journal of Open Source Software, Issue 24759066, 2020, ISSN 2475-9066 Publisher: The Journal of Open Source Software DOI: 10.26434/chemrxiv.12389777.v1 Performance drop at executing communication‑intensive parallel algorithms Author(s): José A. Moríñigo, Pablo García-Muller, Antonio J. Rubio-Montero, Antonio Gómez-Iglesias, Norbert Meyer & Rafael Mayo-García Published in: The Journal of Supercomputing, Issue 09208542, 2020, Page(s) 6834-6859, ISSN 0920-8542 Publisher: Kluwer Academic Publishers DOI: 10.1007/s11227-019-03142-8 Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers Author(s): Jacob M. Dean, Samuel W. Coles, William R. Saunders, Andrew R. McCluskey, Matthew J. Wolf, Alison B. Walker, and Benjamin J. Morgan Published in: Physical Review Letters, Issue 00319007, 2021, ISSN 0031-9007 Publisher: American Physical Society DOI: 10.1103/physrevlett.127.135502 Reducing hydrological modelling uncertainty by using MODIS snow cover data and a topography-based distribution function snowmelt model Author(s): Nicola Di Marco, Diego Avesani, Maurizio Righetti, Mattia Zaramella, Bruno Majone, Marco Borga Published in: Journal of Hydrology, Issue 00221694, 2021, ISSN 0022-1694 Publisher: Elsevier BV DOI: 10.1016/j.jhydrol.2021.126020 Model order reduction approach to the one-dimensional collisionless closure problem Author(s): C. Gillot; Guilhem Dif-Pradalier; Xavier Garbet; Philippe Ghendrih; Virginie Grandgirard; Yanick Sarazin Published in: Physics of Plasmas, Issue 1070664X, 2021, ISSN 1070-664X Publisher: American Institute of Physics DOI: 10.1063/5.0023407 An elastic framework for ensemble-based large-scale data assimilation Author(s): Sebastian Friedemann; Bruno Raffin Published in: The international journal of high performance computing applications, 2022, 36 (4), pp.543-563, Issue 10943420, 2022, ISSN 1094-3420 Publisher: SAGE Publications DOI: 10.1177/10943420221110507 BootCMatchG: An adaptive Algebraic MultiGrid linear solver for GPUs Author(s): Massimo Bernaschi; Pasqua D'Ambra; Dario Pasquini; Dario Pasquini Published in: Software Impacts 6 (2020). doi:10.1016/j.simpa.2020.100041, Issue 26659638, 2020, ISSN 2665-9638 Publisher: Elsevier BV DOI: 10.1016/j.simpa.2020.100041 Non-peer reviewed articles (3) Key impact of phase dynamics and diamagnetic drive on Reynolds stress in magnetic fusion plasmas Author(s): Sarazin, Y; Dif-Pradalier, G; Garbet, X; Ghendrih, P; Gillot, C; Grandgirard, V; Obrejan, K; Varennes, R; Vermare, L; Cartier-Michaud, T Published in: Plasma Physics and Controlled Fusion, Issue 07413335, 2021, ISSN 0741-3335 Publisher: Institute of Physics Publishing DOI: 10.1088/1361-6587/abf673 MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes Author(s): Alessandro Coretti; Camille Bacon; Roxanne Berthin; Alessandra Serva; Laura Scalfi; Iurii Chubak; Kateryna Goloviznina; Matthieu Haefele; Abel Marin-Laflèche; Benjamin Rotenberg; Sara Bonella; Mathieu Salanne Published in: Theoretical and Computational Chemistry, Issue 25732293, 2022, ISSN 2573-2293 Publisher: ChemRxiv DOI: 10.26434/chemrxiv-2022-hx4c7 Evaluation of a lattice Boltzmann-based wind-turbine actuator line model against a Navier-Stokes approach Author(s): Schottenhamml, Helen; Anciaux-Sedrakian, Ani; Blondel, Frédéric; Borras-Nadal, Adria; Joulin, Pierre-Antoine; Rüde, Ulrich Published in: Journal of Physics: Conference Series, Issue 17426588, 2022, ISSN 1742-6588 Publisher: Institute of Physics DOI: 10.1088/1742-6596/2265/2/022027 Searching for OpenAIRE data... 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