دنبال کردن
Hasan Metin Aktulga
Hasan Metin Aktulga
Associate Professor, Computer Science and Engineering, Michigan State University
ایمیل تأیید شده در cse.msu.edu - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
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
6995*2022
Amber 2023
DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ...
University of California, San Francisco, 2023
59382023
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
20402016
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
10232012
AmberTools
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...
Journal of chemical information and modeling 63 (20), 6183-6191, 2023
6382023
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
5902010
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
125*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
1242014
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
962012
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
822015
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
812018
PuReMD-GPU: A Reactive Molecular Dynamic Simulation Package for GPUs
SB Kylasa, HM Aktulga, A Grama
Journal of Computational Physics 272, 343-359, 2014
732014
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
682021
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
662012
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
482012
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
462014
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
36*2019
Quantum mechanics/molecular mechanics simulations on NVIDIA and AMD graphics processing units
M Manathunga, HM Aktulga, AW Götz, KM Merz Jr
Journal of Chemical Information and Modeling 63 (3), 711-717, 2023
342023
Harnessing the power of multi-GPU acceleration into the quantum interaction computational kernel program
M Manathunga, C Jin, VWD Cruzeiro, Y Miao, D Mu, K Arumugam, ...
Journal of Chemical Theory and Computation 17 (7), 3955-3966, 2021
332021
ReaxFF/AMBER—a framework for hybrid reactive/nonreactive force field molecular dynamics simulations
A Rahnamoun, MC Kaymak, M Manathunga, AW Götz, ACT Van Duin, ...
Journal of chemical theory and computation 16 (12), 7645-7654, 2020
312020
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20