Profile The profile is based on mining the text of the experts' scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

Molecular dynamics Engineering & Materials Science
Scalability Engineering & Materials Science
Data storage equipment Engineering & Materials Science
Sparse matrix Mathematics
Hamiltonians Engineering & Materials Science
Force Field Mathematics
Molecular Dynamics Mathematics
Matrix-vector multiplication Mathematics

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Grants 2016 2018

Publications 2007 2018

  • 10 h-Index
  • 17 Article
  • 11 Conference contribution
  • 1 Chapter
  • 1 Review article

Optimizing the performance of reactive molecular dynamics simulations for many-core architectures

Aktulga, H. M., Knight, C., Coffman, P., O’Hearn, K. A., Shan, T. R. & Jiang, W. Jan 1 2018 (Accepted/In press) In : International Journal of High Performance Computing Applications.

Research output: Contribution to journalArticle

Many-core
Molecular Dynamics Simulation
Parallelism
Molecular dynamics
Computer simulation
1 Citations

Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

Shao, M., Aktulga, H. M., Yang, C., Ng, E. G., Maris, P. & Vary, J. P. 2017 (Accepted/In press) In : Computer Physics Communications.

Research output: Contribution to journalArticle

configuration interaction
Iterative methods
supercomputers
parallel computers
Supercomputers
1 Citations

A high performance block eigensolver for nuclear Configuration Interaction calculations

Aktulga, H. M., Afibuzzaman, M., Williams, S., Buluç, A., Shao, M., Yang, C., Ng, E. G., Maris, P. & Vary, J. P. Jun 1 2017 In : IEEE Transactions on Parallel and Distributed Systems. 28, 6, p. 1550-1563 14 p., 7748453

Research output: Contribution to journalArticle

Dynamic random access storage
Bandwidth
Data storage equipment

Learning the domain of sparse matrices

Salin, S., Manguoǧlu, M. & Aktulga, H. M. Jan 31 2017 Proceedings - 2016 15th IEEE International Conference on Machine Learning and Applications, ICMLA 2016. Institute of Electrical and Electronics Engineers Inc., p. 800-805 6 p. 7838247

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Linear systems
Classifiers
Experiments

Reactive Molecular Dynamics on Massively Parallel Heterogeneous Architectures

Kylasa, S. B., Aktulga, H. M. & Grama, A. Y. Jan 1 2017 In : IEEE Transactions on Parallel and Distributed Systems. 28, 1, p. 202-214 13 p., 7444209

Research output: Contribution to journalArticle

Molecular dynamics
Program processors
Information management
Large scale systems
Scheduling