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Dooman Akbarian

Showing results (1-10 of 8) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 4, 2021
Understanding physical chemistry of Ba<sub></sub>Sr<sub>1-</sub>TiO<sub>3</sub> using ReaxFF molecular dynamics simulationsDooman Akbarian, Nadire Nayir, Adri C T van Duin
The Journal of Chemical Physics|January 15, 2021
Atomistic-scale insight into the polyethylene electrical breakdown: An eReaxFF molecular dynamics studyDooman Akbarian, Karthik Ganeshan, W H Hunter Woodward, et al.
The Journal of Physical Chemistry. B|May 31, 2019
Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force FieldMalgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi, et al.
The Journal of Chemical Physics|December 9, 2021
Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anionKatheryn A Penrod, Maximiliano Aldo Burgess, Dooman Akbarian, et al.
The Journal of Physical Chemistry Letters|May 27, 2020
Full-Scale Ab Initio Simulation of Magic-Angle-Spinning Dynamic Nuclear PolarizationFrédéric A Perras, Muralikrishna Raju, Scott L Carnahan, et al.
Physical Chemistry Chemical Physics : PCCP|August 9, 2019
Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO<sub>3</sub>Dooman Akbarian, Dundar E Yilmaz, Ye Cao, et al.
Nano Letters|April 14, 2021
Dynamics of the Chemically Driven Densification of Barium Titanate Using Molten HydroxidesArnaud Ndayishimiye, Mert Y Sengul, Dooman Akbarian, et al.
Journal of Chemical Theory and Computation|May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force FieldsItai Leven, Hongxia Hao, Songchen Tan, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|November 4, 2021
Understanding physical chemistry of Ba<sub></sub>Sr<sub>1-</sub>TiO<sub>3</sub> using ReaxFF molecular dynamics simulationsDooman Akbarian, Nadire Nayir, Adri C T van Duin
The Journal of Chemical Physics|January 15, 2021
Atomistic-scale insight into the polyethylene electrical breakdown: An eReaxFF molecular dynamics studyDooman Akbarian, Karthik Ganeshan, W H Hunter Woodward, et al.
The Journal of Physical Chemistry. B|May 31, 2019
Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force FieldMalgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi, et al.
The Journal of Chemical Physics|December 9, 2021
Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anionKatheryn A Penrod, Maximiliano Aldo Burgess, Dooman Akbarian, et al.
The Journal of Physical Chemistry Letters|May 27, 2020
Full-Scale Ab Initio Simulation of Magic-Angle-Spinning Dynamic Nuclear PolarizationFrédéric A Perras, Muralikrishna Raju, Scott L Carnahan, et al.
Physical Chemistry Chemical Physics : PCCP|August 9, 2019
Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO<sub>3</sub>Dooman Akbarian, Dundar E Yilmaz, Ye Cao, et al.
Nano Letters|April 14, 2021
Dynamics of the Chemically Driven Densification of Barium Titanate Using Molten HydroxidesArnaud Ndayishimiye, Mert Y Sengul, Dooman Akbarian, et al.
Journal of Chemical Theory and Computation|May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force FieldsItai Leven, Hongxia Hao, Songchen Tan, et al.
Pageof 1