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Mark Abraham
Mark Abraham
Voxo AB
Verified email at kth.se
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
SoftwareX 1, 19-25, 2015
203842015
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Solving Software Challenges for Exascale: International Conference on …, 2015
11882015
the GROMACS development team
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
GROMACS user manual version 5 (4), 2016
609*2016
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS
S Páll, A Zhmurov, P Bauer, M Abraham, M Lundborg, A Gray, B Hess, ...
The Journal of Chemical Physics 153 (13), 2020
5242020
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX. 1–2 (2015) 19–25
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
3722015
Pá ll S, Smith JC, Hess B, et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX. 2015; 1–2: 19–25
MJ Abraham, T Murtola, R Schulz
339
Optimization of parameters for molecular dynamics simulation using smooth particle‐mesh Ewald in GROMACS 4.5
MJ Abraham, JE Gready
Journal of computational chemistry 32 (9), 2031-2040, 2011
2912011
GROMACS: High performance molecular simulations through This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. multi-level parallelism from laptops …
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
So wareX 1 (2), 19-25, 2015
2762015
the GROMACS development team, GROMACS User Manual version 2019
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
Google Scholar There is no corresponding record for this reference, 2018
2162018
Direct-space corrections enable fast and accurate Lorentz–Berthelot combination rule Lennard-Jones lattice summation
CL Wennberg, T Murtola, S Páll, MJ Abraham, B Hess, E Lindahl
Journal of chemical theory and computation 11 (12), 5737-5746, 2015
1602015
Solving software challenges for exascale
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Lecture Notes in Computer Science 8750, 3-27, 2015
1582015
Magnitude of chronic energy deficiency and its associated factors among women of reproductive age in the Kunama population, Tigray, Ethiopia, in 2014
S Abraham, G Miruts, A Shumye
BMC nutrition 1, 1-9, 2015
1312015
Trends in data locality abstractions for HPC systems
D Unat, A Dubey, T Hoefler, J Shalf, M Abraham, M Bianco, ...
IEEE Transactions on Parallel and Distributed Systems 28 (10), 3007-3020, 2017
1262017
Gromacs 2020 Manual
E Lindahl, MJ Abraham, B Hess, D Van der Spoel
GROMACS Development Team: Stockholm, Sweden, 2020
972020
Ensuring mixing efficiency of replica-exchange molecular dynamics simulations
MJ Abraham, JE Gready
Journal of Chemical Theory and Computation 4 (7), 1119-1128, 2008
912008
GROMACS user manual version 2018
MJ Abraham, D van der Spoel, E Lindahl, B Hess
Royal Institue of Technology and Uppsala University, 2018
742018
Social behaviour during nest-moving in the ant Myrmica rubra L.(Hym. Form.).
M Abraham, JM Pasteels
651981
GROMACS user manual
MJ Abraham, D Van der Spoel, E Lindahl, B Hess, G Team
Version 5 (7), 2016
632016
GROMACS 2023.1 Manual
M Abraham, A Alekseenko, C Bergh, C Blau, E Briand, M Doijade, ...
GROMACS: Groningen, The Netherlands, 2023
622023
Sharing data from molecular simulations
M Abraham, R Apostolov, J Barnoud, P Bauer, C Blau, AMJJ Bonvin, ...
Journal of chemical information and modeling 59 (10), 4093-4099, 2019
392019
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