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Journal of Chemical Theory and Computation
|
April 25, 2025
Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
Robert Stanton, Mehmet Cagri Kaymak, Anders M N Niklasson
The Journal of Physical Chemistry Letters
|
June 8, 2022
A Polarizable Cationic Dummy Metal Ion Model
Ali 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 Fields
Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, et al.
Journal of Chemical Theory and Computation
|
November 3, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, et al.
Journal of Chemical Theory and Computation
|
March 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential
Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
April 25, 2025
Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
Robert Stanton, Mehmet Cagri Kaymak, Anders M N Niklasson
The Journal of Physical Chemistry Letters
|
June 8, 2022
A Polarizable Cationic Dummy Metal Ion Model
Ali 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 Fields
Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, et al.
Journal of Chemical Theory and Computation
|
November 3, 2020
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, et al.
Journal of Chemical Theory and Computation
|
March 14, 2025
Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential
Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, et al.
Page
of 1