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Kurt A O'Hearn

Showing results (1-10 of 5) with videos related to

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The Journal of Physical Chemistry Letters|June 8, 2022
A Polarizable Cationic Dummy Metal Ion ModelAli Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak, et al.
Journal of Chemical Theory and Computation|August 18, 2022
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force FieldsMehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, et al.
The Journal of Chemical Physics|September 3, 2020
Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge modelKurt A O'Hearn, Michael W Swift, Jialin Liu, et al.
Journal of Chemical Theory and Computation|December 16, 2021
Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF SimulationsJason P Koski, Stan G Moore, Raymond C Clay, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry Letters|June 8, 2022
A Polarizable Cationic Dummy Metal Ion ModelAli Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak, et al.
Journal of Chemical Theory and Computation|August 18, 2022
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force FieldsMehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, et al.
The Journal of Chemical Physics|September 3, 2020
Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge modelKurt A O'Hearn, Michael W Swift, Jialin Liu, et al.
Journal of Chemical Theory and Computation|December 16, 2021
Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF SimulationsJason P Koski, Stan G Moore, Raymond C Clay, et al.
Journal of Chemical Information and Modeling|October 8, 2023
AmberToolsDavid A Case, Hasan Metin Aktulga, Kellon Belfon, et al.
Pageof 1