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Omer Tayfuroglu

Showing results (1-10 of 11) with videos related to

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The Journal of Chemical Physics|August 1, 2025
Modeling CO2 adsorption in flexible MOFs with open metal sites via fragment-based neural network potentialsOmer Tayfuroglu, Seda Keskin
Journal of Chemical Information and Modeling|February 3, 2026
Transforming MOF Modeling with Machine-Learned Potentials: Progress and PerspectivesOmer Tayfuroglu, Seda Keskin
Langmuir : the ACS Journal of Surfaces and Colloids|December 20, 2019
In Silico Investigation into H<sub>2</sub> Uptake in MOFs: Combined Text/Data Mining and Structural CalculationsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Journal of Computational Chemistry|November 3, 2022
The performance of ANI-ML potentials for ligand-n(H<sub>2</sub> O) interaction energies and estimation of hydration free energies from end-point MD simulationsMütesir Temel, Omer Tayfuroglu, Abdulkadir Kocak
Langmuir : the ACS Journal of Surfaces and Colloids|March 14, 2025
Modeling Gas Adsorption and Mechanistic Insights into Flexibility in Isoreticular Metal-Organic Frameworks Using High-Dimensional Neural Network PotentialsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Physical Chemistry Chemical Physics : PCCP|May 5, 2022
A neural network potential for the IRMOF series and its application for thermal and mechanical behaviorsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Journal of Chemical Information and Modeling|August 16, 2022
Accurate Binding Free Energy Method from End-State MD SimulationsEbru Akkus, Omer Tayfuroglu, Muslum Yildiz, et al.
The Journal of Physical Chemistry. B|May 12, 2023
Revisiting MMPBSA by Adoption of MC-Based Surface Area/Volume, ANI-ML Potentials, and Two-Valued Interior Dielectric ConstantEbru Akkus, Omer Tayfuroglu, Muslum Yildiz, et al.
The Journal of Physical Chemistry. B|November 28, 2025
Data-Efficient Equivariant NNPs Enable DFT-Accurate Simulations and Implicit Solvation Free EnergiesEsma Mutlu, Selonou G Kankinou, Omer Tayfuroglu, et al.
Journal of Chemical Information and Modeling|March 4, 2025
DeepConf: Leveraging ANI-ML Potentials for Exploring Local Minima with Application to Bioactive ConformationsOmer Tayfuroglu, Irem N Zengin, M Serdar Koca, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|August 1, 2025
Modeling CO2 adsorption in flexible MOFs with open metal sites via fragment-based neural network potentialsOmer Tayfuroglu, Seda Keskin
Journal of Chemical Information and Modeling|February 3, 2026
Transforming MOF Modeling with Machine-Learned Potentials: Progress and PerspectivesOmer Tayfuroglu, Seda Keskin
Langmuir : the ACS Journal of Surfaces and Colloids|December 20, 2019
In Silico Investigation into H<sub>2</sub> Uptake in MOFs: Combined Text/Data Mining and Structural CalculationsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Journal of Computational Chemistry|November 3, 2022
The performance of ANI-ML potentials for ligand-n(H<sub>2</sub> O) interaction energies and estimation of hydration free energies from end-point MD simulationsMütesir Temel, Omer Tayfuroglu, Abdulkadir Kocak
Langmuir : the ACS Journal of Surfaces and Colloids|March 14, 2025
Modeling Gas Adsorption and Mechanistic Insights into Flexibility in Isoreticular Metal-Organic Frameworks Using High-Dimensional Neural Network PotentialsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Physical Chemistry Chemical Physics : PCCP|May 5, 2022
A neural network potential for the IRMOF series and its application for thermal and mechanical behaviorsOmer Tayfuroglu, Abdulkadir Kocak, Yunus Zorlu
Journal of Chemical Information and Modeling|August 16, 2022
Accurate Binding Free Energy Method from End-State MD SimulationsEbru Akkus, Omer Tayfuroglu, Muslum Yildiz, et al.
The Journal of Physical Chemistry. B|May 12, 2023
Revisiting MMPBSA by Adoption of MC-Based Surface Area/Volume, ANI-ML Potentials, and Two-Valued Interior Dielectric ConstantEbru Akkus, Omer Tayfuroglu, Muslum Yildiz, et al.
The Journal of Physical Chemistry. B|November 28, 2025
Data-Efficient Equivariant NNPs Enable DFT-Accurate Simulations and Implicit Solvation Free EnergiesEsma Mutlu, Selonou G Kankinou, Omer Tayfuroglu, et al.
Journal of Chemical Information and Modeling|March 4, 2025
DeepConf: Leveraging ANI-ML Potentials for Exploring Local Minima with Application to Bioactive ConformationsOmer Tayfuroglu, Irem N Zengin, M Serdar Koca, et al.
Pageof 2