Syed Jawad Hussain

3 Questions 4 Answers 0 Followers

Questions related from Syed Jawad Hussain

Can Electrochemical Impedance Spectroscopy (EIS) be computed using VASP or any other computational method, such as Python scripts or a software?

The focus is on computing Electrochemical Impedance Spectroscopy (EIS) computationally. If it's feasible to perform EIS calculations using VASP, Python scripts, or specialized software, kindly...

09 April 2024 5,045 3 View

Does a 3D material with high value of energy above hull (~ 50 meV) can be synthesized?

Greetings, I am currently engaged in stability analyses of a three-dimensional material using VASP and density functional theory (DFT). While the system exhibits dynamical, mechanical, and thermal...

21 March 2024 4,595 4 View

Are there any alternative methods available for determining ionic conductivity besides the labor-intensive AIMD calculations performed on VASP?

Hello, I am conducting AIMD calculations using VASP and DFT. As part of this process, I require data spanning 50 to 100 ps at various temperatures to construct Arrhenius plots and determine ionic...

21 March 2024 1,636 0 View