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Hasan Metin Aktulga

michigan state university

25H-index
129Paper Count
1.8WCitation Count
Published Papers 28
Publication Date
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Multilevel Fast Multipole Algorithm (MLFMA)-Augmented Decoupled Field and Potential Formulations for Analysis of Scattering From Dielectric Objects: Accelerated analysis via decoupled potential and decoupled field formulations
errIEEE Antennas and Propagation Magazine
IF5.7
err2026-05-07
err0
PREAI
errL. Baumann; J. A. Hawkins; H. M. Aktulga; D. Dault; B. Shanker
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Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-09
err0
errOAAI
errAlejandro Blanco-Gonzalez; William Betancourt; Ryan Michael Snyder; Shi Zhang; Timothy J. Giese; Zeke A. Piskulich; Andreas W. Götz; Kenneth M. Merz Jr.; Darrin M. York; Hasan Metin Aktulga; Madushanka Manathunga
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err6
PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
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Hybrid eigensolvers for nuclear configuration interaction calculations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2023-11-01
err1
errOAAI
errAlperen, Abdullah; Aktulga, Hasan Metin; Maris, Pieter; Yang, Chao
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The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-01-31
err26
PREAI
errManathunga, Madushanka; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz, Jr Kenneth M.
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errSave
High Performance Evaluation of Helmholtz Potentials Using the Multi-Level Fast Multipole Algorithm
errIEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
IF6
err2022-12-01
err0
errOAAI
errLingg, Michael P.; Hughey, Stephen M.; Shanker, Balasubramaniam; Aktulga, Hasan Metin
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errSave
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-18
err21
PREAI
errAktulga, Hasan Metin; Kaymak, Mehmet Cagri; Rahnamoun, Ali; O'Hearn, Kurt A.; Merz Jr, Kenneth M.; van Duin, Adri C. T.
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errSave
LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-02-01
err5.1K
errOAAI
errThompson, Aidan P.; Aktulga, H. Metin; Berger, Richard; Bolintineanu, Dan S.; Brown, W. Michael; Crozier, Paul S.; Veld, Pieter J. in 't; Kohlmeyer, Axel; Moore, Stan G.; Nguyen, Trung Dac; Shan, Ray; Stevens, Mark J.; Tranchida, Julien; Trott, Christian; Plimpton, Steven J.
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Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-16
err16
PREAI
errKoski, Jason P.; Moore, Stan G.; Clay, Raymond C.; O'Hearn, Kurt A.; Aktulga, H. Metin; Wilson, Mark A.; Rackers, Joshua A.; Lane, J. Matthew D.; Modine, Normand A.
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errSave
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-01
err26
errOAAI
errManathunga, Madushanka; Jin, Chi; Cruzeiro, Vinicius Wilian D.; Miao, Yipu; Mu, Dawei; Arumugam, Kamesh; Keipert, Kristopher; Aktulga, Hasan Metin; Merz, Kenneth M., Jr.; Goetz, Andreas W.
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Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-10
err54
errOAAI
errLeven, Itai; Hao, Hongxia; Tan, Songchen; Guan, Xingyi; Penrod, Katheryn A.; Akbarian, Dooman; Evangelisti, Benjamin; Hossain, Md Jamil; Islam, Md Mahbubul; Koski, Jason P.; Moore, Stan; Aktulga, Hasan Metin; van Duin, Adri C. T.; Head-Gordon, Teresa
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ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-03
err27
errOAAI
errRahnamoun, Ali; Kaymak, Mehmet Cagri; Manathunga, Madushanka; Gotz, Andreas W.; van Duin, Adri C. T.; Merz, Kenneth M., Jr.; Aktulga, Hasan Metin
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errSave
Fast and scalable evaluation of pairwise potentials
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-10-01
err1
errOAAI
errHughey, S.; Alsnayyan, A.; Aktulga, H. M.; Gao, T.; Shanker, B.
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errSave
Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-25
err14
errOAAI
errO'Hearn, Kurt A.; Swift, Michael W.; Liu, Jialin; Magoulas, Ilias; Piecuch, Piotr; van Duin, Adri C. T.; Aktulga, H. Metin; Qi, Yue
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FAST SOLVERS FOR CHARGE DISTRIBUTION MODELS ON SHARED MEMORY PLATFORMS
errSIAM JOURNAL ON SCIENTIFIC COMPUTING
IF2.6
err2020-02-18
err11
PREAI
errO'Hearn, Kurt A.; Alperen, Abdullah; Aktulga, Hasan Metin
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errSave
Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-02-01
err20
errOAAI
errMichel, N.; Aktulga, H. M.; Jaganathen, Y.
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Survey of nuclear pasta in the intermediate-density regime: Shapes and energies
errPHYSICAL REVIEW C
IF3.4
err2019-10-30
err24
errOAAI
errSchuetrumpf, B.; Martinez-Pinedo, G.; Afibuzzaman, Md; Aktulga, H. M.
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errSave
Scalable nuclear density functional theory with Sky3D
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2018-02-01
err6
errOAAI
errAfibuzzaman, Md; Schuetrumpf, Bastian; Aktulga, Hasan Metin
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Optimizing the performance of reactive molecular dynamics simulations for many-core architectures
errINTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
IF2.5
err2018-01-08
err23
errOAAI
errAktulga, Hasan Metin; Knight, Chris; Coffman, Paul; O'Hearn, Kurt A.; Shan, Tzu-Ray; Jiang, Wei
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Research Directions

No research directions
Co-authors
Cooperation Journals
A
Adri C. T. van Duin
H-index: 114 · Papers: 818
D
David A. Case
H-index: 107 · Papers: 518
K
Kenneth M. Merz
H-index: 83 · Papers: 690
王君玫 cover
王君玫 (Junmei Wang)
H-index: 76 · Papers: 751
Y
Yue Qi
H-index: 75 · Papers: 884
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