Mark James Abraham

New integrator framework for GROMACS

Michael R. Shirts, Pascal T. Merz, Mark James Abraham, 2019 .

Performance enhancements for GROMACS nonbonded interactions on BlueGene

Mark James Abraham, M. Abraham, 2011, J. Comput. Chem..

Protein folding force fields: Optimisation and optimism

Andrew E. Torda, James B. Procter, Mark James Abraham, 2001 .

Trends in Data Locality Abstractions for HPC Systems

John Shalf, Torsten Hoefler, Hal Finkel, 2017, IEEE Transactions on Parallel and Distributed Systems.

Sharing Data from Molecular Simulations

Alexandre M. J. J. Bonvin, Helmut Grubmüller, Erik Lindahl, 2019, J. Chem. Inf. Model..

Programming Abstractions for Data Locality

John Shalf, Torsten Hoefler, Robert Ross, 2014 .

Optimization of parameters for molecular dynamics simulation using smooth particle‐mesh Ewald in GROMACS 4.5

Jill E. Gready, Mark James Abraham, J. Gready, 2011, J. Comput. Chem..

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS pdf

Carsten Kutzner, Berk Hess, Erik Lindahl, 2015, EASC.