Iain Bethune

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben et al. · The Journal of Chemical Physics · 2020 · 4.1K citations · Full text

Natural Sciences, High-performance Computing, Physics +17

pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data

Ardita Shkurti, Ramón Goñi, Pau Andrio et al. · SoftwareX · 2016 · 52 citations · Full text

Natural Sciences, Biophysics, Biomolecular Modeling +14

Linear instability, nonlinear instability and ligament dynamics in three-dimensional laminar two-layer liquid–liquid flows

Lennon Ó Náraigh, Prashant Valluri, David M. Scott et al. · Journal of Fluid Mechanics · 2014 · 43 citations · Full text

Natural Sciences, Physics, Computational Fluid Dynamics +16

Performance analysis of asynchronous Jacobi’s method implemented in MPI, SHMEM and OpenMP

Iain Bethune, J. Mark Bull, Nicholas J. Dingle et al. · The International Journal of High Performance Computing Applications · 2013 · 33 citations

Computing, Computer Science, High-performance Computing +17

How does blood regulate cerebral temperatures during hypothermia?

Stephen Blowers, Ian Marshall, Michael J. Thrippleton et al. · Scientific Reports · 2018 · 25 citations · Full text

Engineering, Biomedical Engineering, Neuroscience +17