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Journal of Computational Chemistry
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June 19, 2015
Efficient global optimization of reactive force-field parameters
Mark Dittner, Julian Müller, Hasan Metin Aktulga, et al.
Journal of Chemical Information and Modeling
|
January 31, 2023
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
Madushanka Manathunga, Hasan Metin Aktulga, Andreas W Götz, et al.
EURASIP Journal on Bioinformatics & Systems Biology
|
February 28, 2008
Identifying statistical dependence in genomic sequences via mutual information estimates
Hasan Metin Aktulga, Ioannis Kontoyiannis, L Alex Lyznik, et al.
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.
The Journal of Chemical Physics
|
May 13, 2010
A reactive molecular dynamics simulation of the silica-water interface
Joseph C Fogarty, Hasan Metin Aktulga, Ananth Y Grama, 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.
The Journal of Chemical Physics
|
June 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Yujun Tao, Timothy J Giese, Şölen Ekesan, et al.
Journal of Chemical Theory and Computation
|
June 1, 2021
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Chi Jin, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
June 19, 2015
Efficient global optimization of reactive force-field parameters
Mark Dittner, Julian Müller, Hasan Metin Aktulga, et al.
Journal of Chemical Information and Modeling
|
January 31, 2023
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units
Madushanka Manathunga, Hasan Metin Aktulga, Andreas W Götz, et al.
EURASIP Journal on Bioinformatics & Systems Biology
|
February 28, 2008
Identifying statistical dependence in genomic sequences via mutual information estimates
Hasan Metin Aktulga, Ioannis Kontoyiannis, L Alex Lyznik, et al.
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.
The Journal of Chemical Physics
|
May 13, 2010
A reactive molecular dynamics simulation of the silica-water interface
Joseph C Fogarty, Hasan Metin Aktulga, Ananth Y Grama, 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.
The Journal of Chemical Physics
|
June 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
Yujun Tao, Timothy J Giese, Şölen Ekesan, et al.
Journal of Chemical Theory and Computation
|
June 1, 2021
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Chi Jin, Vinícius Wilian D Cruzeiro, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
Page
of 2