Publications

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All the EoCoE-I and EoCoE-II publications are available here (OpenAIRE).

WP1-T1

Wall-modeled large-eddy simulation in a finite element framework.

H.Owen, G.Chrysokentis, M.Avila, D.Mira, G.Houzeaux, R.Borrell, J.C. Cajas, O.Lehmkuhl.

Int J Numer Meth Fluids. 2020;92:20–37.

 

WP1-T2

SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media. Johannes Keller, Volker Rath, Johanna Bruckmann, Darius Mottaghy, Christoph Clauser, Andreas Wolf, Ralf Seidler, H. Martin Bücker, Norbert Klitzsch. SoftwareX 12 (2020) 100533

https://doi.org/10.1016/j.softx.2020.100533

 

WP1-T3

Fast electrostatic solvers for kinetic Monte Carlo simulations

W.R.Saunders, J.Grant, E.H.Müller, I. Thompson.

Journal of Computational Physics 410 (2020) 109379

 

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

Das, B; Aguilera, I; Rau, U; Kirchartz, T

PHYSICAL REVIEW MATERIALS Volume: 4 Issue: 2 Article Number: 024602 DOI: 10.1103/PhysRevMaterials.4.024602 Published: FEB 26 2020

 

Ultra-fast High-precision Metallic nanoparticle Synthesis using Laser-Accelerated protons. M. Barberio, S. Giusepponi, S. Vallières, M. Scisció, M. Celino, P. Antici. Scientific Reports (2020) 10:9570. https://doi.org/10.1038/s41598-020-65282-9

 

Submitted

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems. A. Marin-Laflèche, M. Haefele, L. Scalfi, A. Coretti, T. Dufils, G. Jeanmairet, S. Reed, A. Serva, R. Berthin, C. Bacon, S. Bonella, B. Rotenberg, P.A. Madden, and M. Salanne.

Archive ChemRxiv, il est disponible ici: http://dx.doi.org/10.26434/chemrxiv.12389777.v1

 

WP1-T4

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

Bibi S. Naz, Stefan Kollet, Harrie-Jan Hendricks Franssen, Carsten Montzka & Wolfgang Kurtz.

Scientific Data 2020

https://www.nature.com/articles/s41597-020-0450-6

 

WP1-T5

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

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.

Physics of Plasma Phys. Plasmas 26, 122304 (2019).

 

WP3

AMG based on compatible weighted matching on GPUs, Parallel Computing.

Vol. 92, 2020.

Bernaschi, P. D’Ambra, D. Pasquini.

Electronic version published in December 2019: https://doi.org/10.1016/j.parco.2019.102599

EoCoE II: Toward Exascale for Energy , Project ID: 824158

 

Improving solve time of aggregation-based adaptive AMG.

D’Ambra, P. S. Vassilevski.

Numerical Linear Algebra with Applications. Vol. 26, e2269, 2019. https://doi.org/10.1002/nla.2269

EoCoE, Grant/Award Number: 824158

 

Parallel adaptive FETI-DP using lightweight asynchronous dynamic load balancing.

Klawonn, A (Klawonn, Axel); Kuhn, MJ (Kuhn, Martin J.); Rheinbach, O (Rheinbach, Oliver).

Source: INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING Volume: 121 Issue: 4 Pages: 621-643 DOI: 10.1002/nme.6237

 

WP4

Execution data logs of a supercomputer workload over its extended lifetime.

Rodríguez-Pascual, A. J. Rubio-Montero, J. A. Morínigo, R. Mayo-García.

Data in brief 28 (2020) 105006.

 

Performance drop at executing communication‑intensive parallel algorithms.

A. Moríñigo, P. Garcia‑Muller, A. J. Rubio‑Montero, A. Gomez‑Iglesias, N. Meyer, R. Mayo‑Garcia. The Journal of Supercomputing 2020.

 

EoCoE1  (2019)

Bootstrap AMG for Spectral Clustering, Computational and Mathematical Methods. Vol. 1, e1020, 2019.

D’Ambra, L. Cutillo, P. S. Vassilevski.

https://doi.org/10.1002/cmm4.1020

 

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

Grandgirard, V (Grandgirard, V); Garbet, X (Garbet, X.); Ehrlacher, C (Ehrlacher, Ch); Biancalani, A (Biancalani, A.); Bottino, A (Bottino, A.); Novikau, I

(Novikau, I); Asahi, Y (Asahi, Y.); Caschera, E (Caschera, E.); Dif-Pradalier, G (Dif-Pradalier, G.); Donnel, P (Donnel, P.); Ghendrih, P (Ghendrih, Ph); Gillot, C

(Gillot, C.); Latu, G (Latu, G.); Passeron, C (Passeron, Ch); Sarazin, Y (Sarazin, Y.); Zarzoso, D (Zarzoso, D.)

Source: PHYSICS OF PLASMAS Volume: 26 Issue: 12 Article Number: 122304 DOI: 10.1063/1.5113679 Published: DEC 2019

 

Accelerating Atmospheric Chemical Kinetics for Climate Simulations

Alvanos, M (Alvanos, Michail); Christoudias, T (Christoudias, Theodoros)

Source: IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS Volume: 30 Issue: 11 Pages: 2396-2407 DOI:

10.1109/TPDS.2019.2918798 Published: NOV 2019

 

Study of a water-graphene capacitor with molecular density functional theory

Jeanmairet, G (Jeanmairet, Guillaume); Rotenberg, B (Rotenberg, Benjamin); Borgis, D (Borgis, Daniel); Salanne, M (Salanne, Mathieu)

Source: JOURNAL OF CHEMICAL PHYSICS Volume: 151 Issue: 12 Article Number: 124111 DOI: 10.1063/1.5118301 Published: SEP 28 2019