Kurt A. O’Hearn - Publications, H-index & Citations

Kurt A. O’Hearn

Sandia National Laboratories

8H指数

30论文数

2.0K被引数

收录论文 5

发表时间

The AmberTools

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-10-08

474

OAAI

Case, 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.

Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-12-16

PREAI

Koski, 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.

Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model 使用高保真电荷模型优化锂氧系统的Reax力场

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-08-25

OAAI

O'Hearn, Kurt A.; Swift, Michael W.; Liu, Jialin; Magoulas, Ilias; Piecuch, Piotr; van Duin, Adri C. T.; Aktulga, H. Metin; Qi, Yue

FAST SOLVERS FOR CHARGE DISTRIBUTION MODELS ON SHARED MEMORY PLATFORMS

SIAM JOURNAL ON SCIENTIFIC COMPUTING

IF2.6

2020-02-18

PREAI

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