Energy Oriented Center of Excellence : toward exascale for energy

Rezultaty

First implementation of the project website

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
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

Final code release

Final code release for the framework and the three applications, with the associated documentation. Report on testing at large scale.

Publikacje

"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"

Autorzy: Dif-Pradalier, G.; Ph. Ghendrih; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Munschy, Y.; Varennes, R.; laure vermare; Camenen, Y.; Widmer, F.
Opublikowane w: HAL Open Science - FEC 2020 - IAEA Fusion Energy Conference, May 2021, E-Conference, France, 2021
Wydawca: CEA - articles scientifiques en libre accès

AMG4PSBLAS Linear Algebra Package brings Alya one step closer to Exascale

Autorzy: H. Owen; G. Houzeaux; F. Durastante; S. Filippone; P. D'Ambra
Opublikowane w: 32nd International Conference on Parallel Computational Fluid Dynamics (ParCFD), Virtual, May 17-19, 2021, 2021
Wydawca: CNR

Using GPUs for Determining the Energy Configuration of Superconducting Vortex Lattices with Stochastic Methods

Autorzy: Noelia Molero-Puerto, Rafael Mayo-García
Opublikowane w: Proceedings of the 2019 Winter Simulation Conference (WSC), 2020, ISBN 978-1-7281-3283-9
Wydawca: 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

Autorzy: Francesco Buonocore; Simone Giusepponi; Massimo Celino; Pablo Luis Garcia-Muller; Rafael Mayo-Garcia
Opublikowane w: Proceedings of the 2020 Winter Simulation Conference (WSC), 2021, ISBN 978-1-7281-9499-8
Wydawca: IEEE
DOI: 10.1109/wsc48552.2020.9383917

The ALEX17 diurnal cycles in complex terrain benchmark

Autorzy: J Sanz Rodrigo; J Sanz Rodrigo; Pedro A. Santos; R Chávez Arroyo; Matias Avila; Dalibor Cavar; Oriol Lehmkuhl; Herbert Owen; R Li; E Tromeur
Opublikowane w: Journal of Physics: Conference Series, Numer 17426596, 2021, ISSN 1742-6596
Wydawca: IOP Science
DOI: 10.1088/1742-6596/1934/1/012002

The Challenges of In Situ Analysis for Multiple Simulations

Autorzy: Alejandro Ribes; Bruno Raffin
Opublikowane w: ISAV'20: ISAV'20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, 2020, Strona(/y) 32-37, ISBN 978-1-4503-8812-2
Wydawca: Association for Computing Machinery
DOI: 10.1145/3426462.3426468

DEISA: Dask-Enabled In Situ Analytics

Autorzy: Amal Gueroudji; Julien Bigot; Bruno Raffin
Opublikowane w: 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics (HiPC), 2022, ISBN 978-1-6654-1016-8
Wydawca: IEEE
DOI: 10.1109/hipc53243.2021.00015

Scalable AMG Preconditioners for Computational Science at Extreme Scale

Autorzy: D'Ambra P; Durastante F; Filippone S
Opublikowane w: National Congress of SIMAI 2020-2021, 2021
Wydawca: CNR

Design and Study of Elastic Recovery in HPC Applications

Autorzy: Kai Keller; Konstantinos Parasyris; Leonardo Bautista-Gomez
Opublikowane w: IEEE Xplore - HiPC, 2021, ISBN 978-1-6654-2292-5
Wydawca: 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

Autorzy: Alessandro Pecchia; Francesco Buonocore; Massimo Celino; Simone Giusepponi; Edoardo Di Napoli; Sebastian Achilles; Pablo Luis Garcia-Muller; Rafael Mayo-Garcia
Opublikowane w: IEEE Xplore - Proceedings of the 2021 Winter Simulation Conference, 2022, ISBN 978-1-6654-3311-2
Wydawca: IEEE
DOI: 10.1109/wsc52266.2021.9715484

Towards Zero-Waste Recovery and Zero-Overhead Checkpointing in Ensemble Data Assimilation

Autorzy: Keller, Kai Rasmus; Cristal Kestelman, Adrián; Bautista Gomez, Leonardo Arturo
Opublikowane w: IEEE Xplore, 2021, ISBN 978-1-6654-1016-8
Wydawca: IEEE
DOI: 10.1109/hipc53243.2021.00027

an evaluation of SIONlib with IME

Autorzy: Konstantinos Chasapis; Jean-Thomas Acquaviva; Sebastian Lührs
Opublikowane w: CHEOPS'21 Proceedings of the Workshop on Challenges and Opportunities of Efficient and Performant Storage Systems, 2021, Strona(/y) 1-8, ISBN 978-1-4503-8302-8
Wydawca: Association for Computing Machinery
DOI: 10.1145/3439839.3458736

On the Quality of Matching-based Aggregates for Algebraic Coarsening of SPD Matrices in AMG

Autorzy: D'Ambra P.; Durastante F.; Filippone S.
Opublikowane w: ResarchGate - Working paper, 2020
Wydawca: ResearchGate

Deducing the key physical properties of a perovskite solar cell from its impedance response: insights from drift-diffusion modelling

Autorzy: Riquelme, Antonio; Bennett, Laurence J.; Courtier, Nicola E.; Wolf, Matthew J.; Contreras-Bernal, Lidia; Walker, Alison; Richardson, Giles; Anta, Juan A.
Opublikowane w: ResearchGate, 2020
Wydawca: ResearchGate
DOI: 10.48550/arxiv.2003.07386

Description of the model Application to 2D transport modelling Application to 3D turbulence modelling

Autorzy: 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.
Opublikowane w: CEA posters, 2020
Wydawca: CEA

Non-Uniform Splines for Semi-Lagrangian Kinetic Simulations of the Plasma Sheath

Autorzy: Bourne, Emily; Munschy, Yann; Grandgirard, Virginie; Mehrenberger, Michel; Ghendrih, Philippe
Opublikowane w: CEA - Pre-pub, 2022
Wydawca: CEA

Preconditioning Richards Equations: spectral analysis and parallel solution at very large scale

Autorzy: D'Ambra P; Durastante F; Filippone S
Opublikowane w: Working paper, 2021
Wydawca: CNR

Impact of divertor configuration on tokamak performances: focus on WEST experiments supported by SOLEDGE2D modeling

Autorzy: 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
Opublikowane w: Third IAEA Technical Meeting on Divertor Concepts (DC 2019) - Poster, 2022
Wydawca: CEA

Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties

Autorzy: Simone Brozzesi; Claudio Attaccalite; Francesco Buonocore; Giacomo Giorgi; Maurizia Palummo; Olivia Pulci
Opublikowane w: Nanomaterials, Numer 20794991, 2022, ISSN 2079-4991
Wydawca: MDPI
DOI: 10.3390/nano12122118

3D-to-2D Transition of Anion Vacancy Mobility in CsPbBr3 under Hydrostatic Pressure

Autorzy: Thijs J. A. M. Smolders, Alison B. Walker, Matthew J. Wolf
Opublikowane w: The Journal of Physical Chemistry Letters, Numer 19487185, 2021, Strona(/y) 5169-5177, ISSN 1948-7185
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpclett.1c00554

Investigation of tokamak turbulent avalanches using wave-kinetic formulation in toroidal geometry

Autorzy: C. Gillot; Guilhem Dif-Pradalier; Xavier Garbet; Olivier Panico; Yanick Sarazin; R Varennes; David Zarzoso
Opublikowane w: Journal of Plasma Physics, Cambridge University Press (CUP), 2021, Numer 00223778, 2021, ISSN 0022-3778
Wydawca: Cambridge University Press
DOI: 10.1017/s0022377821000350

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

Autorzy: Kyle G. Reeves, Alessandra Serva, Guillaume Jeanmairet and Mathieu Salanne
Opublikowane w: Physical Chemistry Chemical Physics, Numer 14639076, 2022, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c9cp06658f

Quantum Monte Carlo determination of the principal Hugoniot of deuterium

Autorzy: Michele Ruggeri, Markus Holzmann, David M. Ceperley, Carlo Pierleoni
Opublikowane w: Physical Review B, Numer 102/14, 2020, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.102.144108

Energy-minimizing, symmetric finite differences for anisotropic meshes and energy functional extrapolation

Autorzy: Kühn, Martin Joachim; Kruse, Carola; Rüde, Ulrich
Opublikowane w: SIAM Journal on Scientific Computing, Numer 10648275, 2021, Strona(/y) 448-473, ISSN 1064-8275
Wydawca: 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

Autorzy: Naz, Bibi S.; Kollet, Stefan; Franssen, Harrie-Jan Hendricks; Montzka, Carsten; Kurtz, Wolfgang
Opublikowane w: Scientific Data, V, Numer 20524463, 2020, Strona(/y) 1-14, ISSN 2052-4463
Wydawca: Nature Research
DOI: 10.6084/m9.figshare.11993547

Defect tolerant device geometries for lead-halide perovskites

Autorzy: B. Das; B. Das; Zhi-Fa Liu; Irene Aguilera; Uwe Rau; Uwe Rau; Thomas Kirchartz; Thomas Kirchartz
Opublikowane w: Materials advances, Numer 26335409, 2021, ISSN 2633-5409
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0ma00902d

Skewed and Mixture of Gaussian Distributions for Ensemble Postprocessing

Autorzy: Maxime Taillardat
Opublikowane w: Atmosphere, Numer 20734433, 2021, ISSN 2073-4433
Wydawca: Rotoweb Cantelli
DOI: 10.3390/atmos12080966

Combining Hydrologic Simulations and Stream-network Models to Reveal Flow-ecology Relationships in a Large Alpine Catchment

Autorzy: Stefano Larsen; Bruno Majone; Patrick Zulian; Elisa Stella; Alberto Bellin; Maria Cristina Bruno; Guido Zolezzi
Opublikowane w: Water Resources Reseach, Numer 19447973, 2021, ISSN 1944-7973
Wydawca: AGU Journals
DOI: 10.1029/2020wr028496

A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles

Autorzy: William Robert Saunders, James Grant, Eike Hermann Müller
Opublikowane w: Journal of Computational Physics, Numer 00219991, 2021, ISSN 0021-9991
Wydawca: Academic Press
DOI: 10.1016/j.jcp.2020.110099

Semiconductivity Transition in Silicon Nanowires by Hole Transport Layer.

Autorzy: Awad Shalabny; Francesco Buonocore; Massimo Celino; Gil Shalev; Lu Zhang; Weiwei Wu; Peixian Li; Jordi Arbiol; Muhammad Y. Bashouti
Opublikowane w: Nano Lett., Numer 15306984, 2020, Strona(/y) 8369-8374, ISSN 1530-6984
Wydawca: 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

Autorzy: Michele Ruggeri, Kyle Reeves, Tzu-Yao Hsu, Guillaume Jeanmairet, Mathieu Salanne, and Carlo Pierleoni
Opublikowane w: The Journal of Chemical Physics, Numer 00219606, 2022, ISSN 0021-9606
Wydawca: American Institute of Physics
DOI: 10.1063/5.0082944

AMG preconditioners for Linear Solvers towards Extreme Scale

Autorzy: D'Ambra P.; Durastante F.; Filippone S.
Opublikowane w: 2020, Numer 10648275, 2021, Strona(/y) 679-703, ISSN 1064-8275
Wydawca: Society for Industrial and Applied Mathematics
DOI: 10.1137/20m134914x

Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons

Autorzy: M. Barberio, S. Giusepponi, S. Vallières, M. Scisció, M. Celino & P. Antici
Opublikowane w: Scientific Reports, Numer 20452322, 2020, ISSN 2045-2322
Wydawca: Nature Publishing Group
DOI: 10.1038/s41598-020-65282-9

A dual-layer MPI continuous large-scale hydrological model including Human Systems

Autorzy: Diego Avesania, Andrea Galletti, Sebastiano Piccolroaz, Alberto Bellin, Bruno Majone
Opublikowane w: Environmental Modelling & Software, Numer 13648152, 2021, ISSN 1364-8152
Wydawca: Elsevier BV
DOI: 10.1016/j.envsoft.2021.105003

Synergy of Turbulent Momentum Drive and Magnetic Braking

Autorzy: R. Varennes; X. Garbet; L. Vermare; Y. Sarazin; G. Dif-Pradalier; V. Grandgirard; P. Ghendrih; P. Donnel; M. Peret; K. Obrejan; E. Bourne
Opublikowane w: Physical Review Letters, Numer 00319007, 2022, ISSN 0031-9007
Wydawca: 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.

Autorzy: Antonio Riquelme; Laurence J. Bennett; Nicola E. Courtier; Matthew J. Wolf; Lidia Contreras-Bernal; Alison B. Walker; Giles Richardson; Juan A. Anta
Opublikowane w: Nanoscale, Numer 20403372, 2020, ISSN 2040-3372
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0nr03058a

Room-Temperature Halide Perovskite Field-Effect Transistors by Ion Transport Mitigation

Autorzy: Beomjin Jeong, Lothar Veith, Thijs J. A. M. Smolders, Matthew J. Wolf, Kamal Asadi
Opublikowane w: Advanced Materials, Numer 15214095, 2021, ISSN 1521-4095
Wydawca: Wiley-VCH GmbH, Weinheim
DOI: 10.1002/adma.202100486

Implementation of multi-component Zhdanov closure in SOLEDGE3X

Autorzy: 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
Opublikowane w: Plasma Physics and Controlled Fusion, Numer 07413335, 2022, ISSN 0741-3335
Wydawca: Institute of Physics Publishing
DOI: 10.1088/1361-6587/ac4fac

Quantifying polaronic effects on charge-carrier scattering and mobility in lead--halide perovskites

Autorzy: Wolf, Matthew J.; Irvine, Lewis A. D.; Walker, Alison B.
Opublikowane w: Physical Review B, Numer 24699950, 2021, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.103.l220305

Deducing transport properties of mobile vacancies from perovskite solar cell characteristics

Autorzy: 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
Opublikowane w: Journals of Applied Physics, Numer 00218979, 2020, ISSN 0021-8979
Wydawca: American Institute of Physics
DOI: 10.1063/5.0021849

Wall‐modeled large‐eddy simulation in a finite element framework

Autorzy: Herbert Owen, Georgios Chrysokentis, Matias Avila, Daniel Mira, Guillaume Houzeaux, Ricard Borrell, Juan Carlos Cajas, Oriol Lehmkuhl
Opublikowane w: International Journal for Numerical Methods in Fluids, Numer 92/1, 2019, Strona(/y) 20-37, ISSN 0271-2091
Wydawca: John Wiley & Sons Inc.
DOI: 10.1002/fld.4770

AMG based on compatible weighted matching for GPUs

Autorzy: Massimo Bernaschi, Pasqua D’Ambra, Dario Pasquini
Opublikowane w: Parallel Computing, Numer 92, 2020, Strona(/y) 102599, ISSN 0167-8191
Wydawca: Elsevier BV
DOI: 10.1016/j.parco.2019.102599

Linear collisionless dynamics of the GAM with kinetic electrons: Comparison simulations/theory

Autorzy: 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
Opublikowane w: Physics of Plasmas, Numer 26/12, 2019, Strona(/y) 122304, ISSN 1070-664X
Wydawca: American Institute of Physics
DOI: 10.1063/1.5113679

Execution data logs of a supercomputer workload over its extended lifetime

Autorzy: Manuel Rodríguez-Pascual, Antonio J. Rubio-Montero, José A. Moríñigo, Rafael Mayo-García
Opublikowane w: Data in Brief, Numer 28, 2020, Strona(/y) 105006, ISSN 2352-3409
Wydawca: Elsevier BV
DOI: 10.1016/j.dib.2019.105006

Improving solve time of aggregation‐based adaptive AMG

Autorzy: Pasqua D'Ambra, Panayot S. Vassilevski
Opublikowane w: Numerical Linear Algebra with Applications, Numer 26/6, 2019, ISSN 1070-5325
Wydawca: John Wiley & Sons Inc.
DOI: 10.1002/nla.2269

Fast electrostatic solvers for kinetic Monte Carlo simulations

Autorzy: William Robert Saunders, James Grant, Eike Hermann Müller, Ian Thompson
Opublikowane w: Journal of Computational Physics, Numer 410, 2020, Strona(/y) 109379, ISSN 0021-9991
Wydawca: Academic Press
DOI: 10.1016/j.jcp.2020.109379

Parallel adaptive FETI‐DP using lightweight asynchronous dynamic load balancing

Autorzy: Axel Klawonn, Martin J. Kühn, Oliver Rheinbach
Opublikowane w: International Journal for Numerical Methods in Engineering, Numer 121/4, 2019, Strona(/y) 621-643, ISSN 0029-5981
Wydawca: John Wiley & Sons Inc.
DOI: 10.1002/nme.6237

What is a deep defect? Combining Shockley-Read-Hall statistics with multiphonon recombination theory

Autorzy: Basita Das, Irene Aguilera, Uwe Rau, Thomas Kirchartz
Opublikowane w: Physical Review Materials, Numer 4/2, 2020, ISSN 2475-9953
Wydawca: APS Physics
DOI: 10.1103/physrevmaterials.4.024602

A 3 km spatially and temporally consistent European daily soil moisture reanalysis from 2000 to 2015

Autorzy: Bibi S. Naz, Stefan Kollet, Harrie-Jan Hendricks Franssen, Carsten Montzka, Wolfgang Kurtz
Opublikowane w: Scientific Data, Numer 7/1, 2020, ISSN 2052-4463
Wydawca: 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

Autorzy: Johannes Keller, Volker Rath, Johanna Bruckmann, Darius Mottaghy, Christoph Clauser, Andreas Wolf, Ralf Seidler, H. Martin Bücker, Norbert Klitzsch
Opublikowane w: SoftwareX, Numer 12, 2020, Strona(/y) 100533, ISSN 2352-7110
Wydawca: Elsevier
DOI: 10.1016/j.softx.2020.100533

Wall‐modeled large‐eddy simulation in a finite element framework

Autorzy: Herbert Owen; Georgios Chrysokentis; Matias Avila; Daniel Mira; Guillaume Houzeaux; R. Borrell; J.C. Cajas; Oriol Lehmkuhl
Opublikowane w: International Journal for Numerical Methods in Fluids, Numer 10970363, 2020, Strona(/y) 20-37, ISSN 1097-0363
Wydawca: 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

Autorzy: Martin J Kühn; Ulrich Ruede; Carola Kruse
Opublikowane w: Journal of Scientific Computing, Numer 08857474, 2022, ISSN 0885-7474
Wydawca: Kluwer Academic/Plenum Publishers
DOI: 10.1007/s10915-022-01802-1

Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study.

Autorzy: Francesco Buonocore; Andrea Capasso; Massimo Celino; Nicola Lisi; Olivia Pulci
Opublikowane w: Journal of Physical Chemistry, Numer 19327447, 2021, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.1c04397

Enhancing the electronic properties of VLS-grown silicon nanowires by surface charge transfer

Autorzy: Awad Shalabny, Francesco Buonocore, Massimo Celino, Lu Zhang, Kasra Sardashti, Michael Härth, Dirk W. Schubert, Muhammad Y. Bashouti
Opublikowane w: Applied Surface Science, Numer 01694332, 2022, ISSN 0169-4332
Wydawca: Elsevier BV
DOI: 10.1016/j.apsusc.2022.153957

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

Autorzy: 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
Opublikowane w: The Journal of Open Source Software, Numer 24759066, 2020, ISSN 2475-9066
Wydawca: The Journal of Open Source Software
DOI: 10.26434/chemrxiv.12389777.v1

Performance drop at executing communication‑intensive parallel algorithms

Autorzy: José A. Moríñigo, Pablo García-Muller, Antonio J. Rubio-Montero, Antonio Gómez-Iglesias, Norbert Meyer & Rafael Mayo-García
Opublikowane w: The Journal of Supercomputing, Numer 09208542, 2020, Strona(/y) 6834-6859, ISSN 0920-8542
Wydawca: Kluwer Academic Publishers
DOI: 10.1007/s11227-019-03142-8

Overscreening and Underscreening in Solid-Electrolyte Grain Boundary Space-Charge Layers

Autorzy: Jacob M. Dean, Samuel W. Coles, William R. Saunders, Andrew R. McCluskey, Matthew J. Wolf, Alison B. Walker, and Benjamin J. Morgan
Opublikowane w: Physical Review Letters, Numer 00319007, 2021, ISSN 0031-9007
Wydawca: 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

Autorzy: Nicola Di Marco, Diego Avesani, Maurizio Righetti, Mattia Zaramella, Bruno Majone, Marco Borga
Opublikowane w: Journal of Hydrology, Numer 00221694, 2021, ISSN 0022-1694
Wydawca: Elsevier BV
DOI: 10.1016/j.jhydrol.2021.126020

Model order reduction approach to the one-dimensional collisionless closure problem

Autorzy: C. Gillot; Guilhem Dif-Pradalier; Xavier Garbet; Philippe Ghendrih; Virginie Grandgirard; Yanick Sarazin
Opublikowane w: Physics of Plasmas, Numer 1070664X, 2021, ISSN 1070-664X
Wydawca: American Institute of Physics
DOI: 10.1063/5.0023407

An elastic framework for ensemble-based large-scale data assimilation

Autorzy: Sebastian Friedemann; Bruno Raffin
Opublikowane w: The international journal of high performance computing applications, 2022, 36 (4), pp.543-563, Numer 10943420, 2022, ISSN 1094-3420
Wydawca: SAGE Publications
DOI: 10.1177/10943420221110507

BootCMatchG: An adaptive Algebraic MultiGrid linear solver for GPUs

Autorzy: Massimo Bernaschi; Pasqua D'Ambra; Dario Pasquini; Dario Pasquini
Opublikowane w: Software Impacts 6 (2020). doi:10.1016/j.simpa.2020.100041, Numer 26659638, 2020, ISSN 2665-9638
Wydawca: Elsevier BV
DOI: 10.1016/j.simpa.2020.100041

Key impact of phase dynamics and diamagnetic drive on Reynolds stress in magnetic fusion plasmas

Autorzy: Sarazin, Y; Dif-Pradalier, G; Garbet, X; Ghendrih, P; Gillot, C; Grandgirard, V; Obrejan, K; Varennes, R; Vermare, L; Cartier-Michaud, T
Opublikowane w: Plasma Physics and Controlled Fusion, Numer 07413335, 2021, ISSN 0741-3335
Wydawca: Institute of Physics Publishing
DOI: 10.1088/1361-6587/abf673

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Autorzy: 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
Opublikowane w: Theoretical and Computational Chemistry, Numer 25732293, 2022, ISSN 2573-2293
Wydawca: ChemRxiv
DOI: 10.26434/chemrxiv-2022-hx4c7

Evaluation of a lattice Boltzmann-based wind-turbine actuator line model against a Navier-Stokes approach

Autorzy: Schottenhamml, Helen; Anciaux-Sedrakian, Ani; Blondel, Frédéric; Borras-Nadal, Adria; Joulin, Pierre-Antoine; Rüde, Ulrich
Opublikowane w: Journal of Physics: Conference Series, Numer 17426588, 2022, ISSN 1742-6588
Wydawca: Institute of Physics
DOI: 10.1088/1742-6596/2265/2/022027

Wyszukiwanie danych OpenAIRE...

Rezultaty

Publikacje

Udostępnij tę stronę

Pobierz