Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
5 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
AmberTools.
J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8.
J Chem Inf Model. 2023.
PMID: 37805934
Free PMC article.
A Polarizable Cationic Dummy Metal Ion Model.
Rahnamoun A, O'Hearn KA, Kaymak MC, Li Z, Merz KM Jr, Aktulga HM.
Rahnamoun A, et al. Among authors: o hearn ka.
J Phys Chem Lett. 2022 Jun 8:5334-5340. doi: 10.1021/acs.jpclett.2c01279. Online ahead of print.
J Phys Chem Lett. 2022.
PMID: 35675715
Item in Clipboard
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force Fields.
Kaymak MC, Rahnamoun A, O'Hearn KA, van Duin ACT, Merz KM Jr, Aktulga HM.
Kaymak MC, et al. Among authors: o hearn ka.
J Chem Theory Comput. 2022 Sep 13;18(9):5181-5194. doi: 10.1021/acs.jctc.2c00363. Epub 2022 Aug 17.
J Chem Theory Comput. 2022.
PMID: 35978524
Item in Clipboard
Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model.
O'Hearn KA, Swift MW, Liu J, Magoulas I, Piecuch P, van Duin ACT, Aktulga HM, Qi Y.
O'Hearn KA, et al.
J Chem Phys. 2020 Aug 28;153(8):084107. doi: 10.1063/5.0014406.
J Chem Phys. 2020.
PMID: 32872856
Item in Clipboard
Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations.
Koski JP, Moore SG, Clay RC, O'Hearn KA, Aktulga HM, Wilson MA, Rackers JA, Lane JMD, Modine NA.
Koski JP, et al. Among authors: o hearn ka.
J Chem Theory Comput. 2022 Jan 11;18(1):580-594. doi: 10.1021/acs.jctc.1c00975. Epub 2021 Dec 16.
J Chem Theory Comput. 2022.
PMID: 34914383
Item in Clipboard
Cite
Cite