Matter Modeling
JaafarMehrez's user avatar
JaafarMehrez's user avatar
JaafarMehrez's user avatar
JaafarMehrez
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Exploring physics, nanoelectronics, philosophy, and first-principle theory.

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All Questions Answers
Score Newest
question
5
Modeling techniques for simulating the electronic and structural properties of Transition Metal Dichalcogenide nanotubes
Oct 30
answer
5
What are the recent developments of TDDFT to simulate the excited properties of materials?
Nov 7
answer
5
For a single unit cell calculation, is it necessary to add a vacuum?
Nov 10
answer
4
Can the the relaxed energy of a material system (eV/atom) computed by DFT using VASP be positive?
Nov 20
answer
4
Can adsorption energy be upto -8 eV for VOC adsorption in MoS2 layer?
Nov 7
answer
4
What do we get by integrating over the charge density data of a material system calculated with DFT?
Nov 4
question
4
Strongly Correlated Materials: Theoretical Frameworks, Computational Techniques, and Machine Learning Breakthroughs in Matter Modeling
Nov 7
question
4
Determining the Nature of a Material's Band Structure: Metallic or Semi-Metallic?
Nov 14
question
3
Discrepancy between Force Convergence in Geometrical Optimization and SCF Calculation in VASP: Reasons and Troubleshooting Suggestions
Nov 12
answer
3
Adsorption of Li on GeC (optimization problem)
Nov 15
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With IPv6 do we need to use NAT anymore?

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