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Mark Abraham
Mark Abraham
Voxo AB
Verified email at kth.se
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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
164942015
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
9972015
the GROMACS development team
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
GROMACS user manual version 5 (2), 2016, 2016
557*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
3252020
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
2562011
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
255
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
2112018
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
1362015
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
812020
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
631981
GROMACS user manual
MJ Abraham, D Van der Spoel, E Lindahl, B Hess, G Team
Version 5 (7), 2016
602016
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
312019
Performance enhancements for GROMACS nonbonded interactions on BlueGene
MJ Abraham
Journal of Computational Chemistry 32 (9), 2041-2046, 2011
132011
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