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H. Metin Aktulga
H. Metin Aktulga
Associate Professor, Computer Science and Engineering, Michigan State University
Verified email at cse.msu.edu - Homepage
Title
Cited by
Cited by
Year
The ReaxFF Reactive Force-field: Development, Applications, and Future Directions
TP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ...
Nature PJ Computational Materials 2, 15011, 2016
11302016
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
HM Aktulga, JC Fogarty, SA Pandit, AY Grama
Parallel Computing 38 (4-5), 245-259, 2012
6632012
A reactive molecular dynamics simulation of the silica-water interface
JC Fogarty, HM Aktulga, AY Grama, ACT Van Duin, SA Pandit
The Journal of Chemical Physics 132, 174704, 2010
4582010
LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ...
Computer Physics Communications 271, 108171, 2022
436*2022
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
4142021
Improving the scalability of a symmetric iterative eigensolver for multi‐core platforms
HM Aktulga, C Yang, EG Ng, P Maris, JP Vary
Concurrency and Computation: Practice and Experience 26 (16), 2631-2651, 2014
98*2014
Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations
HM Aktulga, A Buluç, S Williams, C Yang
28th IEEE International Parallel & Distributed Processing Symposium (IPDPS 2014), 2014
862014
Reactive molecular dynamics: Numerical methods and algorithmic techniques
HM Aktulga, S Pandit, ACT van Duin, A Grama
SIAM J. Sci. Comput. 34 (1), C1–C23, 2012
702012
Topology-Aware Mappings for Large-Scale Eigenvalue Problems
H Aktulga, C Yang, E Ng, P Maris, J Vary
Euro-Par 2012 Parallel Processing, LNCS 7484, 830-842, 2012
602012
Efficient global optimization of reactive force‐field parameters
M Dittner, J Müller, HM Aktulga, B Hartke
Journal of computational chemistry 36 (20), 1550-1561, 2015
562015
PuReMD-GPU: A Reactive Molecular Dynamic Simulation Package for GPUs
SB Kylasa, HM Aktulga, A Grama
Journal of Computational Physics 272, 343-359, 2014
542014
Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver
M Shao, HM Aktulga, C Yang, EG Ng, P Maris, JP Vary
Computer Physics Communications 222, 1-13, 2018
492018
Large-scale ab initio configuration interaction calculations for light nuclei
P Maris, HM Aktulga, MA Caprio, ÜV Çatalyürek, EG Ng, D Oryspayev, ...
Journal of Physics: Conference Series 403 (1), 012019, 2012
402012
Parallel eigenvalue calculation based on multiple shift–invert Lanczos and contour integral based spectral projection method
HM Aktulga, L Lin, C Haine, EG Ng, C Yang
Parallel Computing 40 (7), 195-212, 2014
372014
Optimizing the performance of reactive molecular dynamics simulations for many-core architectures
HM Aktulga, C Knight, P Coffman, KA O’Hearn, TR Shan, W Jiang
The International Journal of High Performance Computing Applications 33 (2 …, 2019
25*2019
No Core CI calculations for light nuclei with chiral 2-and 3-body forces
P Maris, HM Aktulga, S Binder, A Calci, ÜV Çatalyürek, J Langhammer, ...
Journal of Physics: Conference Series 454 (1), 012063, 2013
252013
Strain relaxation in Si/Ge/Si nanoscale bars from molecular dynamics simulations
Y Park, HM Aktulga, A Grama, A Strachan
Journal of Applied Physics 106 (3), 034304-034304-6, 2009
242009
Survey of nuclear pasta in the intermediate-density regime: Shapes and energies
B Schuetrumpf, G Martínez-Pinedo, M Afibuzzaman, HM Aktulga
Physical Review C 100 (4), 045806, 2019
222019
Identifying statistical dependence in genomic sequences via mutual information estimates
HM Aktulga, I Kontoyiannis, LA Lyznik, L Szpankowski, AY Grama, ...
EURASIP Journal on Bioinformatics and Systems Biology 2007, 1-11, 2007
212007
Recent advances for improving the accuracy, transferability, and efficiency of reactive force fields
I Leven, H Hao, S Tan, X Guan, KA Penrod, D Akbarian, B Evangelisti, ...
Journal of chemical theory and computation 17 (6), 3237-3251, 2021
202021
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