Kurt A. O'Hearn

According to our database, Kurt A. O'Hearn authored at least 8 papers between 2013 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

AmberTools.

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.

J. Chem. Inf. Model., October, 2023

End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX.

Mehmet Cagri Kaymak, Samuel S. Schoenholz, Ekin D. Cubuk, Kurt A. O'Hearn, Kenneth M. Merz Jr., Hasan Metin Aktulga

Proceedings of the High Performance Computing - 38th International Conference, 2023

2020

Fast Solvers for Charge Distribution Models on Shared Memory Platforms.

Kurt A. O'Hearn, Abdullah Alperen, Hasan Metin Aktulga

SIAM J. Sci. Comput., 2020

2019

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

Hasan Metin Aktulga, Chris Knight, Paul K. Coffman, Kurt A. O'Hearn, Tzu-Ray Shan, Wei Jiang

Int. J. High Perform. Comput. Appl., 2019

Performance optimization of reactive molecular dynamics simulations with dynamic charge distribution models on distributed memory platforms.

Kurt A. O'Hearn, Abdullah Alperen, Hasan Metin Aktulga

Proceedings of the ACM International Conference on Supercomputing, 2019

2017

Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-Core Architectures.

Hasan Metin Aktulga, Christopher Knight, Paul K. Coffman, Kurt A. O'Hearn, Tzu-Ray Shan, Wei Jiang

CoRR, 2017

2016

Towards Fast Scalable Solvers for Charge Equilibration in Molecular Dynamics Applications.

Kurt A. O'Hearn, Hasan Metin Aktulga

Proceedings of the 7th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems, 2016

2013

Parallel Implementations of FGMRES for Solving Large, Sparse Non-Symmetric Linear Systems.

Byron DeVries, Joe Iannelli, Christian Trefftz, Kurt A. O'Hearn, Gregory Wolffe

Proceedings of the International Conference on Computational Science, 2013