scientific pubblications
Publications
Discover the scientific research and results produced by EoCoE across HPC, energy and computational science.
scientific pubblications
Publications
Discover the scientific research and results produced by EoCoE across HPC, energy and computational science.
2022
Implicitly Extrapolated Geometric Multigrid on Disk-Like Domains for the Gyrokinetic Poisson Equation from Fusion Plasma Applications
Journal of Scientific Computing, 91 (1), 2022
Error resilience of three GMRES implementations under fault injection
Journal of Supercomputing, 78 (5), pp. 7158–7185, 2022
Next steps in the footprint project: A feasibility study of installing solar panels on Bath Abbey
Energy Science and Engineering, 10 (3), pp. 892-902, 2022
2021
Detailed simulation of storage hydropower systems in large Alpine watersheds
Journal of Hydrology, 603, art. no. 127125, 2021
Leveraging HPC accelerator architectures with modern techniques — hydrologic modeling on GPUs with ParFlow
Computational Geosciences, 25 (5), pp. 1579-1590, 2021
Skewed and mixture of gaussian distributions for ensemble postprocessing
Atmosphere, 12 (8), art. no. 966, 2021
Reducing hydrological modelling uncertainty by using MODIS snow cover data and a topography-based distribution function snowmelt model
Journal of Hydrology, 599, art. no. 126020, 2021
Tuning the Electronic Properties of Graphane via Hydroxylation: An Ab Initio Study
Journal of Physical Chemistry C, 125 (29), pp. 16316-16323, 2021
Defect tolerant device geometries for lead-halide perovskites
Materials Advances, 2 (11), pp. 3655-3670, 2021
Quantifying polaronic effects on the scattering and mobility of charge carriers in lead halide perovskites
Physical Review B, 103 (22), art. no. L220305, 2021
Co-designing multi-level checkpoint restart for MPI applications
Proceedings – 21st IEEE/ACM International Symposium on Cluster, Cloud and Internet Computing, CCGrid 2021, pp. 103-112, 2021
A dual-layer MPI continuous large-scale hydrological model including Human Systems
Environmental Modelling and Software, 139, art. no. 105003, 2021
Integration of parallel I/O library and flash native accelerators: An evaluation of SIONlib with IME
Proceedings of the Workshop on Challenges and Opportunities of Efficient and Performant Storage Systems, CHEOPS 2021 – In Conjunction with EuroSys 2021, art. no. 6, 2021
Combining Hydrologic Simulations and Stream-network Models to Reveal Flow-ecology Relationships in a Large Alpine Catchment
Water Resources Research, 57 (4), art. no. e2020WR028496, 2021
A new algorithm for electrostatic interactions in Monte Carlo simulations of charged particles
Journal of Computational Physics, 430, art. no. 110099, 2021
Model order reduction approach to the one-dimensional collisionless closure problem
Physics of Plasmas, 28 (2), art. no. 022111, 2021
Non-Equilibrium Green Functions Approach to Study Transport Through a-Si:H/c-Si Interfaces
Proceedings – Winter Simulation Conference, 2021-December, 2021
DEISA: Dask-Enabled in Situ Analytics
Proceedings – 2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics, HiPC 2021, pp. 11-20, 2021
AMG preconditioners for linear solvers towards extreme scale
SIAM Journal on Scientific Computing, 43 (5), pp. S679-S703, 2021
Including in Situ Visualization and Analysis in PDI
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 12761 LNCS, pp. 508-512, 2021
Energy-minimizing, symmetric discretizations for anisotropic meshes and energy functional extrapolation
SIAM Journal on Scientific Computing, 43 (4), pp. A2448-A2473, 2021
3D-to-2D Transition of Anion Vacancy Mobility in CsPbBr3under Hydrostatic Pressure
Journal of Physical Chemistry Letters, 12, pp. 5169-5177, 2021
2020
A Combined Classical Molecular Dynamics Simulations and AB Initio Calculations Approach to Study A-SI:H/C-SI Interfaces
Proceedings – Winter Simulation Conference, 2020-December, art. no. 9383917, pp. 3117-3127, 2020
Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons
Scientific Reports, 10 (1), art. no. 9570, 2020
Deducing transport properties of mobile vacancies from perovskite solar cell characteristics
Journal of Applied Physics, 128 (18), art. no. 184501, 2020
The Challenges of in Situ Analysis for Multiple Simulations
ACM International Conference Proceeding Series, art. no. 3426468, pp. 32-37, 2020
Semiconductivity Transition in Silicon Nanowires by Hole Transport Layer
Nano Letters, 20 (11), pp. 8369-8374, 2020
BootCMatchG: An adaptive Algebraic MultiGrid linear solver for GPUs[Formula presented]
Software Impacts, 6, art. no. 100041, 2020
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
Physical Review B, 102 (14), art. no. 144108, 2020
Identification of recombination losses and charge collection efficiency in a perovskite solar cell by comparing impedance response to a drift-diffusion model
Nanoscale, 12 (33), pp. 17385-17398, 2020
Interpretation of photocurrent transients at semiconductor electrodes: Effects of band-edge unpinning
Journal of Electroanalytical Chemistry, 872, art. no. 114234, 2020
SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media
SoftwareX, 12, art. no. 100533, 2020
Fast electrostatic solvers for kinetic Monte Carlo simulations
Journal of Computational Physics, 410, art. no. 109379, 2020
A 3 km spatially and temporally consistent European daily soil moisture reanalysis from 2000 to 2015
Scientific data, 7 (1), p. 111, 2020
AMG based on compatible weighted matching for GPUs
Parallel Computing, 92, art. no. 102599, 2020
Parallel adaptive FETI-DP using lightweight asynchronous dynamic load balancing
International Journal for Numerical Methods in Engineering, 121 (4), pp. 621-643, 2020
What is a deep defect? Combining Shockley-Read-Hall statistics with multiphonon recombination theory
Physical Review Materials, 4 (2), art. no. 024602, 2020
Execution data logs of a supercomputer workload over its extended lifetime
Data in Brief, 28, art. no. 105006, 2020
Wall-modeled large-eddy simulation in a finite element framework
International Journal for Numerical Methods in Fluids, 92 (1), pp. 20-37, 2020
2019
Linear collisionless dynamics of the GAM with kinetic electrons: Comparison simulations/theory
Physics of Plasmas, 26 (12), art. no. 122304, 2019
Improving solve time of aggregation-based adaptive AMG
Numerical Linear Algebra with Applications, 26 (6), art. no. e2269, 2019
Fine-Grained MPI+OpenMP Plasma Simulations: Communication Overlap with Dependent Tasks
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 11725 LNCS, pp. 419-433, 2019
