EoCoE-I publications are available here (OpenAIRE).
EoCoE-II publications are available here (OpenAIRE).
More publications on ResearchGate
Kühn, M.J., Kruse, C., Rüde, U.
Implicitly Extrapolated Geometric Multigrid on Disk-Like Domains for the Gyrokinetic Poisson Equation from Fusion Plasma Applications
(2022) Journal of Scientific Computing, 91 (1), art. no. 28, .
DOI: 10.1007/s10915-022-01802-1
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Moríñigo, J.A., Bustos, A., Mayo-García, R.
Error resilience of three GMRES implementations under fault injection
(2022) Journal of Supercomputing, 78 (5), pp. 7158-7185.
DOI: 10.1007/s11227-021-04148-x
Smiles, M.J., Law, A.M., Urwick, A.N., Thomas, L., Irvine, L.A.D., Pilot, M.T., Bowman, A.R., Walker, A.B.
Next steps in the footprint project: A feasibility study of installing solar panels on Bath Abbey
(2022) Energy Science and Engineering, 10 (3), pp. 892-902.
DOI: 10.1002/ese3.1069
OPEN ACCESS: All Open Access, Green
Galletti, A., Avesani, D., Bellin, A., Majone, B.
Detailed simulation of storage hydropower systems in large Alpine watersheds
(2021) Journal of Hydrology, 603, art. no. 127125, .
DOI: 10.1016/j.jhydrol.2021.127125
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Hokkanen, J., Kollet, S., Kraus, J., Herten, A., Hrywniak, M., Pleiter, D.
Leveraging HPC accelerator architectures with modern techniques — hydrologic modeling on GPUs with ParFlow
(2021) Computational Geosciences, 25 (5), pp. 1579-1590.
DOI: 10.1007/s10596-021-10051-4
OPEN ACCESS: All Open Access, Hybrid Gold
Taillardat, M.
Skewed and mixture of gaussian distributions for ensemble postprocessing
(2021) Atmosphere, 12 (8), art. no. 966, .
DOI: 10.3390/atmos12080966
OPEN ACCESS: All Open Access, Gold, Green
Di Marco, N., Avesani, D., Righetti, M., Zaramella, M., Majone, B., Borga, M.
Reducing hydrological modelling uncertainty by using MODIS snow cover data and a topography-based distribution function snowmelt model
(2021) Journal of Hydrology, 599, art. no. 126020, .
DOI: 10.1016/j.jhydrol.2021.126020
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Buonocore, F., Capasso, A., Celino, M., Lisi, N., Pulci, O.
Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study
(2021) Journal of Physical Chemistry C, 125 (29), pp. 16316-16323.
DOI: 10.1021/acs.jpcc.1c04397
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Das, B., Liu, Z., Aguilera, I., Rau, U., Kirchartz, T.
Defect tolerant device geometries for lead-halide perovskites
(2021) Materials Advances, 2 (11), pp. 3655-3670.
DOI: 10.1039/d0ma00902d
OPEN ACCESS: All Open Access, Gold, Green
Irvine, L.A.D., Walker, A.B., Wolf, M.J.
Quantifying polaronic effects on the scattering and mobility of charge carriers in lead halide perovskites
(2021) Physical Review B, 103 (22), art. no. L220305, .
DOI: 10.1103/PhysRevB.103.L220305
OPEN ACCESS: All Open Access, Green
Parasyris, K., Georgakoudis, G., Bautista-Gomez, L., Laguna, I.
Co-designing multi-level checkpoint restart for MPI applications
(2021) Proceedings – 21st IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing, CCGrid 2021, pp. 103-112.
DOI: 10.1109/CCGrid51090.2021.00020
Avesani, D., Galletti, A., Piccolroaz, S., Bellin, A., Majone, B.
A dual-layer MPI continuous large-scale hydrological model including Human Systems
(2021) Environmental Modelling and Software, 139, art. no. 105003, .
DOI: 10.1016/j.envsoft.2021.105003
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Chasapis, K., Acquaviva, J.-T., Lührs, S.
Integration of parallel I/O library and flash native accelerators: An evaluation of SIONlib with IME
(2021) Proceedings of the Workshop on Challenges and Opportunities of Efficient and Performant Storage Systems, CHEOPS 2021 – In Conjunction with EuroSys 2021, art. no. 6, .
DOI: 10.1145/3439839.3458736
Larsen, S., Majone, B., Zulian, P., Stella, E., Bellin, A., Bruno, M.C., Zolezzi, G.
Combining Hydrologic Simulations and Stream-network Models to Reveal Flow-ecology Relationships in a Large Alpine Catchment
(2021) Water Resources Research, 57 (4), art. no. e2020WR028496, .
DOI: 10.1029/2020WR028496
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Saunders, W.R., Grant, J., Müller, E.H.
A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles
(2021) Journal of Computational Physics, 430, art. no. 110099, .
DOI: 10.1016/j.jcp.2020.110099
OPEN ACCESS: All Open Access, Green
Gillot, C., Dif-Pradalier, G., Garbet, X., Ghendrih, P., Grandgirard, V., Sarazin, Y.
Model order reduction approach to the one-dimensional collisionless closure problem
(2021) Physics of Plasmas, 28 (2), art. no. 022111, .
DOI: 10.1063/5.0023407
OPEN ACCESS: All Open Access, Green
Pecchia, A., Buonocore, F., Celino, M., Giusepponi, S., DI Napoli, E., Achilles, S., Garcia-Muller, P.L., Mayo-Garcia, R.
Non-Equilibrium Green Functions Approach to Study Transport Through a-Si:H/c-Si Interfaces
(2021) Proceedings – Winter Simulation Conference, 2021-December, .
DOI: 10.1109/WSC52266.2021.9715484
Gueroudji, A., Bigot, J., Raffin, B.
DEISA: Dask-Enabled in Situ Analytics
(2021) Proceedings – 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics, HiPC 2021, pp. 11-20.
DOI: 10.1109/HiPC53243.2021.00015
OPEN ACCESS: All Open Access, Green
D’Ambra, P., Durastante, F., Filippone, S.
AMG preconditioners for linear solvers towards extreme scale
(2021) SIAM Journal on Scientific Computing, 43 (5), pp. S679-S703.
DOI: 10.1137/20M134914X
OPEN ACCESS: All Open Access, Green
Witzler, C., Zavala-Aké, J.M., Sierociński, K., Owen, H.
Including in Situ Visualization and Analysis in PDI
(2021) Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 12761 LNCS, pp. 508-512.
DOI: 10.1007/978-3-030-90539-2_35
Kühn, M.J., Kruse, C., Rüde, U.
Energy-minimizing, symmetric discretizations for anisotropic meshes and energy functional extrapolation
(2021) SIAM Journal on Scientific Computing, 43 (4), pp. A2448-A2473.
DOI: 10.1137/21M1397520
OPEN ACCESS: All Open Access, Green
Smolders, T.J.A.M., Walker, A.B., Wolf, M.J.
3D-to-2D Transition of Anion Vacancy Mobility in CsPbBr3under Hydrostatic Pressure
(2021) Journal of Physical Chemistry Letters, 12, pp. 5169-5177.
DOI: 10.1021/acs.jpclett.1c00554
OPEN ACCESS: All Open Access, Green
Buonocore, F., Giusepponi, S., Celino, M., Garcia-Muller, P.L., Mayo-Garcia, R.
A Combined Classical Molecular Dynamics Simulations and AB Initio Calculations Approach to Study A-SI:H/C-SI Interfaces
(2020) Proceedings – Winter Simulation Conference, 2020-December, art. no. 9383917, pp. 3117-3127.
DOI: 10.1109/WSC48552.2020.9383917
Barberio, M., Giusepponi, S., Vallières, S., Scisció, M., Celino, M., Antici, P.
Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons
(2020) Scientific Reports, 10 (1), art. no. 9570, .
DOI: 10.1038/s41598-020-65282-9
OPEN ACCESS: All Open Access, Gold, Green
Cave, J.M., Courtier, N.E., Blakborn, I.A., Jones, T.W., Ghosh, D., Anderson, K.F., Lin, L., Dijkhoff, A.A., Wilson, G.J., Feron, K., Saiful Islam, M., Foster, J.M., Richardson, G., Walker, A.B.
Deducing transport properties of mobile vacancies from perovskite solar cell characteristics
(2020) Journal of Applied Physics, 128 (18), art. no. 184501, .
DOI: 10.1063/5.0021849
OPEN ACCESS: All Open Access, Green
Ribés, A., Raffin, B.
The Challenges of in Situ Analysis for Multiple Simulations
(2020) ACM International Conference Proceeding Series, art. no. 3426468, pp. 32-37.
DOI: 10.1145/3426462.3426468
OPEN ACCESS: All Open Access, Green
Shalabny, A., Buonocore, F., Celino, M., Shalev, G., Zhang, L., Wu, W., Li, P., Arbiol, J., Bashouti, M.Y.
Semiconductivity Transition in Silicon Nanowires by Hole Transport Layer
(2020) Nano Letters, 20 (11), pp. 8369-8374.
DOI: 10.1021/acs.nanolett.0c03543
OPEN ACCESS: All Open Access, Green
Bernaschi, M., D’Ambra, P., Pasquini, D.
BootCMatchG: An adaptive Algebraic MultiGrid linear solver for GPUs[Formula presented]
(2020) Software Impacts, 6, art. no. 100041, .
DOI: 10.1016/j.simpa.2020.100041
OPEN ACCESS: All Open Access, Gold, Green
Ruggeri, M., Holzmann, M., Ceperley, D.M., Pierleoni, C.
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
(2020) Physical Review B, 102 (14), art. no. 144108, .
DOI: 10.1103/PhysRevB.102.144108
OPEN ACCESS: All Open Access, Green
Riquelme, A., Bennett, L.J., Courtier, N.E., Wolf, M.J., Contreras-Bernal, L., Walker, A.B., Richardson, G., Anta, J.A.
Identification of recombination losses and charge collection efficiency in a perovskite solar cell by comparing impedance response to a drift-diffusion model
(2020) Nanoscale, 12 (33), pp. 17385-17398.
DOI: 10.1039/d0nr03058a
OPEN ACCESS: All Open Access, Hybrid Gold, Green
Peter, L.M., Walker, A.B., Bein, T., Hufnagel, A.G., Kondofersky, I.
Interpretation of photocurrent transients at semiconductor electrodes: Effects of band-edge unpinning
(2020) Journal of Electroanalytical Chemistry, 872, art. no. 114234, .
DOI: 10.1016/j.jelechem.2020.114234
Keller, J., Rath, V., Bruckmann, J., Mottaghy, D., Clauser, C., Wolf, A., Seidler, R., Bücker, H.M., Klitzsch, N.
SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media
(2020) SoftwareX, 12, art. no. 100533, .
DOI: 10.1016/j.softx.2020.100533
OPEN ACCESS: All Open Access, Gold
Saunders, W.R., Grant, J., Müller, E.H., Thompson, I.
Fast electrostatic solvers for kinetic Monte Carlo simulations
(2020) Journal of Computational Physics, 410, art. no. 109379, .
DOI: 10.1016/j.jcp.2020.109379
OPEN ACCESS: All Open Access, Green
Naz, B.S., Kollet, S., Franssen, H.-J.H., Montzka, C., Kurtz, W.
A 3 km spatially and temporally consistent European daily soil moisture reanalysis from 2000 to 2015
(2020) Scientific data, 7 (1), p. 111.
DOI: 10.1038/s41597-020-0450-6
OPEN ACCESS: All Open Access, Gold, Green
Bernaschi, M., D’Ambra, P., Pasquini, D.
AMG based on compatible weighted matching for GPUs
(2020) Parallel Computing, 92, art. no. 102599, .
DOI: 10.1016/j.parco.2019.102599
OPEN ACCESS: All Open Access, Green
Klawonn, A., Kühn, M.J., Rheinbach, O.
Parallel adaptive FETI-DP using lightweight asynchronous dynamic load balancing
(2020) International Journal for Numerical Methods in Engineering, 121 (4), pp. 621-643.
DOI: 10.1002/nme.6237
OPEN ACCESS: All Open Access, Green
Das, B., Aguilera, I., Rau, U., Kirchartz, T.
What is a deep defect? Combining Shockley-Read-Hall statistics with multiphonon recombination theory
(2020) Physical Review Materials, 4 (2), art. no. 024602, .
DOI: 10.1103/PhysRevMaterials.4.024602
Rodríguez-Pascual, M., Rubio-Montero, A.J., Moríñigo, J.A., Mayo-García, R.
Execution data logs of a supercomputer workload over its extended lifetime
(2020) Data in Brief, 28, art. no. 105006, .
DOI: 10.1016/j.dib.2019.105006
OPEN ACCESS: All Open Access, Gold, Green
Owen, H., Chrysokentis, G., Avila, M., Mira, D., Houzeaux, G., Borrell, R., Cajas, J.C., Lehmkuhl, O.
Wall-modeled large-eddy simulation in a finite element framework
(2020) International Journal for Numerical Methods in Fluids, 92 (1), pp. 20-37.
DOI: 10.1002/fld.4770
OPEN ACCESS: All Open Access, Green
Grandgirard, V., Garbet, X., Ehrlacher, C., Biancalani, A., Bottino, A., Novikau, I., Asahi, Y., Caschera, E., Dif-Pradalier, G., Donnel, P., Ghendrih, P., Gillot, C., Latu, G., Passeron, C., Sarazin, Y., Zarzoso, D.
Linear collisionless dynamics of the GAM with kinetic electrons: Comparison simulations/theory
(2019) Physics of Plasmas, 26 (12), art. no. 122304, .
DOI: 10.1063/1.5113679
OPEN ACCESS: All Open Access, Green
D’Ambra, P., Vassilevski, P.S.
Improving solve time of aggregation-based adaptive AMG
(2019) Numerical Linear Algebra with Applications, 26 (6), art. no. e2269, .
DOI: 10.1002/nla.2269
OPEN ACCESS: All Open Access, Green
Richard, J., Latu, G., Bigot, J., Gautier, T.
Fine-Grained MPI+OpenMP Plasma Simulations: Communication Overlap with Dependent Tasks
(2019) Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 11725 LNCS, pp. 419-433.
DOI: 10.1007/978-3-030-29400-7_30
OPEN ACCESS: All Open Access, Green