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Mark Abraham
Mark Abraham
Voxo AB
Verified email at kth.se
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Cited by
Cited by
Year
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
167842015
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
10122015
the GROMACS development team
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
GROMACS user manual version 5 (2), 2016, 2016
560*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
3372020
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
261
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
2592011
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
2142018
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
1392015
Solving software challenges for exascale
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl, S Markidis, E Laure
Lecture Notes in Computer Science 8750, 3-27, 2015
1352015
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
1112017
Ensuring mixing efficiency of replica-exchange molecular dynamics simulations
MJ Abraham, JE Gready
Journal of Chemical Theory and Computation 4 (7), 1119-1128, 2008
882008
Gromacs 2020 Manual
E Lindahl, MJ Abraham, B Hess, D Van der Spoel
GROMACS Development Team: Stockholm, Sweden, 2020
822020
GROMACS user manual version 2018
MJ Abraham, D van der Spoel, E Lindahl, B Hess
Royal Institue of Technology and Uppsala University, 2018
782018
Social behaviour during nest-moving in the ant Myrmica rubra L.(Hym. Form.).
M Abraham, JM Pasteels
641981
GROMACS user manual
MJ Abraham, D Van der Spoel, E Lindahl, B Hess, G Team
Version 5 (7), 2016
622016
Lindahl E
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess
GROMACS: high performance molecular simulations through multi-level …, 2015
602015
Lecture Notes in Computer Science
S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl
Springer International Publishing 8750, 3-27, 2015
592015
Programming abstractions for data locality
A Tate, A Kamil, A Dubey, A Groblinger, B Chamberlain, B Goglin, ...
Office of Scientific and Technical Information (OSTI), 2014
532014
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
322019
Performance enhancements for GROMACS nonbonded interactions on BlueGene
MJ Abraham
Journal of Computational Chemistry 32 (9), 2041-2046, 2011
132011
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