| 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 | 16723 | 2015 |
| 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 | 1011 | 2015 |
| 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 | 336 | 2020 |
| 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 | 260 | |
| 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 | 259 | 2011 |
| 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 | 214 | 2018 |
| 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 | 139 | 2015 |
| 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 | 135 | 2015 |
| 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 | 111 | 2017 |
| Ensuring mixing efficiency of replica-exchange molecular dynamics simulations MJ Abraham, JE Gready Journal of Chemical Theory and Computation 4 (7), 1119-1128, 2008 | 88 | 2008 |
| Gromacs 2020 Manual E Lindahl, MJ Abraham, B Hess, D Van der Spoel GROMACS Development Team: Stockholm, Sweden, 2020 | 82 | 2020 |
| GROMACS user manual version 2018 MJ Abraham, D van der Spoel, E Lindahl, B Hess Royal Institue of Technology and Uppsala University, 2018 | 78 | 2018 |
| Social behaviour during nest-moving in the ant Myrmica rubra L.(Hym. Form.). M Abraham, JM Pasteels | 64 | 1981 |
| GROMACS user manual MJ Abraham, D Van der Spoel, E Lindahl, B Hess, G Team Version 5 (7), 2016 | 61 | 2016 |
| Lindahl E MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess GROMACS: high performance molecular simulations through multi-level …, 2015 | 60 | 2015 |
| Lecture Notes in Computer Science S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl Springer International Publishing 8750, 3-27, 2015 | 59 | 2015 |
| 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 | 53 | 2014 |
| 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 | 32 | 2019 |
| Performance enhancements for GROMACS nonbonded interactions on BlueGene MJ Abraham Journal of Computational Chemistry 32 (9), 2041-2046, 2011 | 13 | 2011 |
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, SwedenVerified email at scilifelab.se
