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 | 20384 | 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 | 1188 | 2015 |
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 | 524 | 2020 |
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 | 372 | 2015 |
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 | 291 | 2011 |
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 | 276 | 2015 |
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 | 216 | 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 | 160 | 2015 |
Solving software challenges for exascale S Páll, MJ Abraham, C Kutzner, B Hess, E Lindahl Lecture Notes in Computer Science 8750, 3-27, 2015 | 158 | 2015 |
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 | 131 | 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 | 126 | 2017 |
Gromacs 2020 Manual E Lindahl, MJ Abraham, B Hess, D Van der Spoel GROMACS Development Team: Stockholm, Sweden, 2020 | 97 | 2020 |
Ensuring mixing efficiency of replica-exchange molecular dynamics simulations MJ Abraham, JE Gready Journal of Chemical Theory and Computation 4 (7), 1119-1128, 2008 | 91 | 2008 |
GROMACS user manual version 2018 MJ Abraham, D van der Spoel, E Lindahl, B Hess Royal Institue of Technology and Uppsala University, 2018 | 74 | 2018 |
Social behaviour during nest-moving in the ant Myrmica rubra L.(Hym. Form.). M Abraham, JM Pasteels | 65 | 1981 |
GROMACS user manual MJ Abraham, D Van der Spoel, E Lindahl, B Hess, G Team Version 5 (7), 2016 | 63 | 2016 |
GROMACS 2023.1 Manual M Abraham, A Alekseenko, C Bergh, C Blau, E Briand, M Doijade, ... GROMACS: Groningen, The Netherlands, 2023 | 62 | 2023 |
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 | 39 | 2019 |