Hasan Metin Aktulga

57 papers A 3B 4C 4Misc 3Journal 33Unranked 8

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization. J. Chem. Inf. Model. Alejandro Blanco-Gonzalez, William Betancourt, Ryan Snyder, Shi Zhang, Timothy J. Giese, Zeke Piskulich, Andreas W. Götz, Kenneth M. Merz Jr., Darrin M. York, Hasan Metin Aktulga, Madushanka Manathunga
2025	C	`conf`	Optimizing Nuclear Configuration Interaction Calculations on GPUs: A Comparative Performance Study of Programming Models. ISC Abdullah Alperen, Nan Ding, Khaled Z. Ibrahim, Pieter Maris, Leonid Oliker, Chao Yang, Hasan Metin Aktulga
2025	J	`jnl`	ReLCP: Scalable Complementarity-Based Collision Resolution for Smooth Rigid Bodies. CoRR Bryce Palmer, Hasan Metin Aktulga, Tong Gao
2024	J	`jnl`	A Deep Learning Framework for Three Dimensional Shape Reconstruction from Phaseless Acoustic Scattering Far-field Data. CoRR Doga Dikbayir, Abdel Alsnayyan, Vishnu Naresh Boddeti, Balasubramaniam Shanker, Hasan Metin Aktulga
2024	J	`jnl`	OpenRAND: A performance portable, reproducible random number generation library for parallel computations. SoftwareX Shihab Shahriar Khan, Bryce Palmer, Christopher Edelmaier, Hasan Metin Aktulga
2023	J	`jnl`	AmberTools. J. Chem. Inf. Model. David A. Case, Hasan Metin Aktulga, Kellon Belfon, David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro, Negin Forouzesh, Timothy J. Giese, Andreas W. Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet Cagri Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R. Machado, Hai Minh Nguyen, Kurt A. O'Hearn, Alexey V. Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason M. Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E. Cheatham, Daniel R. Roe, Adrian E. Roitberg, Carlos Simmerling, Darrin M. York, Maria C. Nagan, Kenneth M. Merz Jr.
2023	C	`conf`	End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX. ISC Mehmet Cagri Kaymak, Samuel S. Schoenholz, Ekin D. Cubuk, Kurt A. O'Hearn, Kenneth M. Merz Jr., Hasan Metin Aktulga
2023	J	`jnl`	Hybrid Eigensolvers for Nuclear Configuration Interaction Calculations. CoRR Abdullah Alperen, Hasan Metin Aktulga, Pieter Maris, Chao Yang
2023	J	`jnl`	Hybrid eigensolvers for nuclear configuration interaction calculations. Comput. Phys. Commun. Abdullah Alperen, Hasan Metin Aktulga, Pieter Maris, Chao Yang
2023	J	`jnl`	OpenRAND: A Performance Portable, Reproducible Random Number Generation Library for Parallel Computations. CoRR Shihab Shahriar Khan, Bryce Palmer, Christopher Edelmaier, Hasan Metin Aktulga
2023	J	`jnl`	Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units. J. Chem. Inf. Model. Madushanka Manathunga, Hasan Metin Aktulga, Andreas W. Götz, Kenneth M. Merz Jr.
2022	Misc	`conf`	A Portable Sparse Solver Framework for Large Matrices on Heterogeneous Architectures. HIPC Fazlay Rabbi, Christopher S. Daley, Ümit V. Çatalyürek, Hasan Metin Aktulga
2022	J	`jnl`	High Performance Evaluation of Helmholtz Potentials Using the Multi-Level Fast Multipole Algorithm. IEEE Trans. Parallel Distributed Syst. Michael P. Lingg, Stephen M. Hughey, Balasubramaniam Shanker, Hasan Metin Aktulga
2022	J	`jnl`	LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput. Phys. Commun. Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton
2021	B	`conf`	An Evaluation of Task-Parallel Frameworks for Sparse Solvers on Multicore and Manycore CPU Architectures. ICPP Abdullah Alperen, Md. Afibuzzaman, Fazlay Rabbi, M. Yusuf Özkaya, Ümit V. Çatalyürek, Hasan Metin Aktulga
2021	B	`conf`	Optimizing Data Locality and Termination Criterion for t-SNE. IJCNN Doga Dikbayir, Balasubramaniam Shanker, Hasan Metin Aktulga
2020	—	`conf`	Evaluation of the Communication Motif for a Distributed Eigensolver using the SST Network Simulation Tool. PMBS@SC Md. Afibuzzaman, Pieter Maris, Taylor L. Groves, Dossay Oryspayev, Brandon Cook, Chao Yang, Hasan Metin Aktulga
2020	Misc	`conf`	Exploring Task Parallelism for the Multilevel Fast Multipole Algorithm. HiPC Michael P. Lingg, Stephen M. Hughey, Doga Dikbayir, Balasubramaniam Shanker, Hasan Metin Aktulga
2020	J	`jnl`	Fast Solvers for Charge Distribution Models on Shared Memory Platforms. SIAM J. Sci. Comput. Kurt A. O'Hearn, Abdullah Alperen, Hasan Metin Aktulga
2020	J	`jnl`	Fast and scalable evaluation of pairwise potentials. Comput. Phys. Commun. Stephen M. Hughey, A. Alsnayyan, Hasan Metin Aktulga, T. Gao, Balasubramaniam Shanker
2020	J	`jnl`	High Performance Evaluation of Helmholtz Potentials usingthe Multi-Level Fast Multipole Algorithm. CoRR Michael P. Lingg, Stephen M. Hughey, Hasan Metin Aktulga, Balasubramaniam Shanker
2020	J	`jnl`	Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model. Comput. Phys. Commun. Nicolas Michel, Hasan Metin Aktulga, Y. Jaganathen
2019	—	`conf`	Data Analysis for Atomic Shapes in Nuclear Science. ICCS (2) Mehmet Cagri Kaymak, Hasan Metin Aktulga, Ron Fox, Sean N. Liddick
2019	Misc	`conf`	DeepSparse: A Task-Parallel Framework for SparseSolvers on Deep Memory Architectures. HiPC Md. Afibuzzaman, Fazlay Rabbi, M. Yusuf Özkaya, Hasan Metin Aktulga, Ümit V. Çatalyürek
2019	—	`conf`	Evaluation of Directive-Based GPU Programming Models on a Block Eigensolver with Consideration of Large Sparse Matrices. WACCPD@SC Fazlay Rabbi, Christopher S. Daley, Hasan Metin Aktulga, Nicholas J. Wright
2019	J	`jnl`	Optimizing the performance of reactive molecular dynamics simulations for many-core architectures. Int. J. High Perform. Comput. Appl. Hasan Metin Aktulga, Chris Knight, Paul K. Coffman, Kurt A. O'Hearn, Tzu-Ray Shan, Wei Jiang
2019	A	`conf`	Performance optimization of reactive molecular dynamics simulations with dynamic charge distribution models on distributed memory platforms. ICS Kurt A. O'Hearn, Abdullah Alperen, Hasan Metin Aktulga
2018	J	`jnl`	Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver. Comput. Phys. Commun. Meiyue Shao, Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2018	B	`conf`	Optimization of the Spherical Harmonics Transform based Tree Traversals in the Helmholtz FMM Algorithm. ICPP Michael P. Lingg, Stephen M. Hughey, Hasan Metin Aktulga
2018	J	`jnl`	Scalable nuclear density functional theory with Sky3D. Comput. Phys. Commun. Md. Afibuzzaman, Bastian Schuetrumpf, Hasan Metin Aktulga
2017	J	`jnl`	A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations. IEEE Trans. Parallel Distributed Syst. Hasan Metin Aktulga, Md. Afibuzzaman, Samuel Williams, Aydin Buluç, Meiyue Shao, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2017	J	`jnl`	Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-Core Architectures. CoRR Hasan Metin Aktulga, Christopher Knight, Paul K. Coffman, Kurt A. O'Hearn, Tzu-Ray Shan, Wei Jiang
2017	J	`jnl`	Reactive Molecular Dynamics on Massively Parallel Heterogeneous Architectures. IEEE Trans. Parallel Distributed Syst. Sudhir B. Kylasa, Hasan Metin Aktulga, Ananth Y. Grama
2016	J	`jnl`	Accelerating Nuclear Configuration Interaction Calculations through a Preconditioned Block Iterative Eigensolver. CoRR Meiyue Shao, Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2016	C	`conf`	Learning the Domain of Sparse Matrices. ICMLA Suleyman Salin, Murat Manguoglu, Hasan Metin Aktulga
2016	—	`conf`	Towards Fast Scalable Solvers for Charge Equilibration in Molecular Dynamics Applications. ScalA@SC Kurt A. O'Hearn, Hasan Metin Aktulga
2015	—	`ch.`	An Out-of-Core Task-based Middleware for Data-Intensive Scientific Computing. Handbook on Data Centers Erik Saule, Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Ümit V. Çatalyürek
2015	J	`jnl`	Efficient global optimization of reactive force-field parameters. J. Comput. Chem. Mark Dittner, Julian Müller, Hasan Metin Aktulga, Bernd Hartke
2015	J	`jnl`	Performance analysis of distributed symmetric sparse matrix vector multiplication algorithm for multi-core architectures. Concurr. Comput. Pract. Exp. Dossay Oryspayev, Hasan Metin Aktulga, Masha Sosonkina, Pieter Maris, James P. Vary
2014	J	`jnl`	Exploring the future of out-of-core computing with compute-local non-volatile memory. Sci. Program. Myoungsoo Jung, Ellis Herbert Wilson III, Wonil Choi, John Shalf, Hasan Metin Aktulga, Chao Yang, Erik Saule, Ümit V. Çatalyürek, Mahmut T. Kandemir
2014	J	`jnl`	Improving the scalability of a symmetric iterative eigensolver for multi-core platforms. Concurr. Comput. Pract. Exp. Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2014	A	`conf`	Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations. IPDPS Hasan Metin Aktulga, Aydin Buluç, Samuel Williams, Chao Yang
2014	J	`jnl`	Parallel eigenvalue calculation based on multiple shift-invert Lanczos and contour integral based spectral projection method. Parallel Comput. Hasan Metin Aktulga, Lin Lin, Christopher Haine, Esmond G. Ng, Chao Yang
2014	J	`jnl`	PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs. J. Comput. Phys. Sudhir B. Kylasa, Hasan Metin Aktulga, Ananth Grama
2013	A	`conf`	Exploring the future of out-of-core computing with compute-local non-volatile memory. SC Myoungsoo Jung, Ellis Herbert Wilson, Wonil Choi, John Shalf, Hasan Metin Aktulga, Chao Yang, Erik Saule, Ümit V. Çatalyürek, Mahmut T. Kandemir
2012	—	`conf`	An Out-of-Core Dataflow Middleware to Reduce the Cost of Large Scale Iterative Solvers. ICPP Workshops Zheng Zhou, Erik Saule, Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary, Ümit V. Çatalyürek
2012	C	`conf`	An Out-of-Core Eigensolver on SSD-equipped Clusters. CLUSTER Zheng Zhou, Erik Saule, Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary, Ümit V. Çatalyürek
2012	J	`jnl`	Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques. Parallel Comput. Hasan Metin Aktulga, Joseph C. Fogarty, Sagar A. Pandit, Ananth Grama
2012	J	`jnl`	Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques. SIAM J. Sci. Comput. Hasan Metin Aktulga, Sagar Pandit, Adri C. T. van Duin, Ananth Grama
2012	—	`conf`	Topology-Aware Mappings for Large-Scale Eigenvalue Problems. Euro-Par Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2011	J	`jnl`	Advancing Nuclear Physics Through TOPS Solvers and Tools CoRR Esmond G. Ng, Jason Sarich, Stefan M. Wild, Todd S. Munson, Hasan Metin Aktulga, Chao Yang, Pieter Maris, James P. Vary, Nicolas Schunck, M. G. Bertolli, Markus Kortelainen, Witold Nazarewicz, Thomas Papenbrock, M. V. Stoitsov
2011	—	`conf`	Large-scale parallel null space calculation for nuclear configuration interaction. HPCS Hasan Metin Aktulga, Chao Yang, Esmond G. Ng, Pieter Maris, James P. Vary
2011	—	`conf`	On Reducing I/O Overheads in Large-Scale Invariant Subspace Projections. Euro-Par Workshops (1) Hasan Metin Aktulga, Chao Yang, Ümit V. Çatalyürek, Pieter Maris, James P. Vary, Esmond G. Ng
2010	—	`—`	Algorithmic and numerical techniques for atomistic modeling Hasan Metin Aktulga
2007	J	`jnl`	Identifying Statistical Dependence in Genomic Sequences via Mutual Information Estimates. EURASIP J. Bioinform. Syst. Biol. Hasan Metin Aktulga, Ioannis Kontoyiannis, Leszek Alex Lyznik, Lukasz Szpankowski, Ananth Grama, Wojciech Szpankowski
2007	J	`jnl`	Identifying statistical dependence in genomic sequences via mutual information estimates CoRR Hasan Metin Aktulga, Ioannis Kontoyiannis, Leszek Alex Lyznik, Lukasz Szpankowski, Ananth Grama, Wojciech Szpankowski
2007	B	`conf`	Statistical Dependence in Biological Sequences. ISIT Hasan Metin Aktulga, Ioannis Kontoyiannis, Leszek Alex Lyznik, Lukasz Szpankowski, Ananth Y. Grama, Wojciech Szpankowski