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Iain Bethune
Iain Bethune
Atos
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Cited by
Year
CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations
TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ...
The Journal of Chemical Physics 152 (19), 194103, 2020
8892020
Performance analysis of asynchronous Jacobiís method implemented in MPI, SHMEM and OpenMP
I Bethune, JM Bull, NJ Dingle, NJ Higham
The International Journal of High Performance Computing Applications 28 (1†Ö, 2014
52*2014
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data
A Shkurti, R Goni, P Andrio, E Breitmoser, I Bethune, M Orozco, ...
SoftwareX 5, 44-50, 2016
382016
Linear instability, nonlinear instability, and ligament dynamics in three-dimensional laminar two-layer liquid/liquid flows
LO Náraigh, P Valluri, D Scott, I Bethune, PDM Spelt
362013
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques
V Balasubramanian, I Bethune, A Shkurti, E Breitmoser, E Hruska, ...
e-Science (e-Science), 2016 IEEE 12th International Conference on, 361-370, 2016
242016
Optimising CP2K for the Intel Xeon Phi
F Reid, I Bethune
Partnership for Advanced Computing in Europe (PRACE) White Paper 140, 2014
242014
CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space
A Shkurti, ID Styliari, V Balasubramanian, I Bethune, C Pedebos, S Jha, ...
Journal of chemical theory and computation 15 (4), 2587-2596, 2019
232019
How does blood regulate cerebral temperatures during hypothermia?
S Blowers, I Marshall, M Thrippleton, P Andrews, B Harris, I Bethune, ...
Scientific Reports 8 (1), 7877, 2018
182018
Adapting a network topology
IA Bethune, GD Hutchison, BJ Smith
US Patent 8,352,866, 2013
142013
Executing dynamic heterogeneous workloads on Blue Waters with RADICAL-Pilot
M Santcroos, R Castain, A Merzky, I Bethune, S Jha
Cray User Group 2016, 2016
102016
Voxel-based finite element modelling with VOX-FE2
N Banglawala, I Bethune, M Fagan, R Holbrey
72015
Mapping application performance to HPC architecture
A Gray, I Bethune, R Kenway, L Smith, M Guest, C Kitchen, P Calleja, ...
Computer Physics Communications 183 (3), 520-529, 2012
72012
STORAGE AREA NETWORK CONFIGURATION
I Bethune, GD Hutchison, BJ Smith
EP Patent 2,294,778, 2011
72011
Million Atom KS-DFT with CP2K
I Bethune, A Carter, X Guo, P Korosoglou
72011
MIST: a simple and efficient molecular dynamics abstraction library for integrator development
I Bethune, R Banisch, E Breitmoser, ABK Collis, G Gibb, G Gobbo, ...
Computer Physics Communications 236, 224-236, 2019
62019
Porting of the DBCSR library for Sparse Matrix-Matrix Multiplications to Intel Xeon Phi systems
I Bethune, A Gloess, J Hutter, A Lazzaro, H Pabst, F Reid
arXiv preprint arXiv:1708.03604, 2017
52017
Solving Large Sparse Linear Systems using Asynchronous Multisplitting
N Brown, JM Bull, I Bethune
52013
Storage area network configuration
IA Bethune, GD Hutchison, BJ Smith
US Patent 8,793,352, 2014
42014
Performance enhancement and optimization of the TPLS and DIM two-phase flow solvers
DM Scott, LÓ Náraigh, I Bethune, P Valluri, PDM Spelt
HECToR dCSE Report, 2013
42013
Adding Parallel I/O to PARA-BMU
N Johnson, I Bethune
42012
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