Mark James Abraham

Publication Activity (10 Years)

Years Active: 2011-2020
Publications (10 Years): 3

Top Topics

Protein Folding

Computer Systems

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

IEEE Trans. Parallel Distributed Syst.

Publications

Szilárd Páll, Artem A. Zhmurov, Paul Bauer, Mark James Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS. CoRR (2020)
Mark James Abraham, Rossen Apostolov, Jonathan Barnoud, Paul Bauer, Christian Blau, Alexandre M. J. J. Bonvin, Matthieu Chavent, John D. Chodera, Karmen Condic-Jurkic, Lucie Delemotte, Helmut Grubmüller, Rebecca J. Howard, E. Joseph Jordan, Erik Lindahl, Samuli Ollila, Jana Selent, Daniel G. A. Smith, Phillip J. Stansfeld, Johanna K. S. Tiemann, Mikael Trellet, Christopher J. Woods, Artem A. Zhmurov
Sharing Data from Molecular Simulations. J. Chem. Inf. Model. 59 (10) (2019)
Didem Unat, Anshu Dubey, Torsten Hoefler, John Shalf, Mark James Abraham, Mauro Bianco, Bradford L. Chamberlain, Romain Cledat, H. Carter Edwards, Hal Finkel, Karl Fuerlinger, Frank Hannig, Emmanuel Jeannot, Amir Kamil, Jeff Keasler, Paul H. J. Kelly, Vitus J. Leung, Hatem Ltaief, Naoya Maruyama, Chris J. Newburn, Miquel Pericàs
Trends in Data Locality Abstractions for HPC Systems. IEEE Trans. Parallel Distributed Syst. 28 (10) (2017)
Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. CoRR (2015)
Szilárd Páll, Mark James Abraham, Carsten Kutzner, Berk Hess, Erik Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS. EASC (2014)
Mark James Abraham
Performance enhancements for GROMACS nonbonded interactions on BlueGene. J. Comput. Chem. 32 (9) (2011)
Mark James Abraham, Jill E. Gready
Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5. J. Comput. Chem. 32 (9) (2011)