Matter Modeling
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Mithridates the Great
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I'm a software engineer and I work in aerospace industry to develop computational algorithms for cloud and edge computing infrastructures.

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question
32
Is there any DFT code or software that has the option to use this exact exchange-correlation energy functional?
May 4, 2020
answer
20
In molecular mechanics, how are van der Waals forces modelled?
Apr 28, 2020
question
20
Is there any complete list of open source hubs specifically designed for materials modeling and computational materials science?
May 4, 2020
answer
18
Examples for results obtained from modeling materials having had a direct impact in discovery of new materials
Apr 29, 2020
answer
15
Computing phonon dispersion from molecular dynamics simulations?
May 3, 2020
answer
15
What are the scientific justifications of the binding energy equation?
May 5, 2020
answer
14
Is there any relevant DFT formalism apart from the Kohn-Sham approach?
Apr 30, 2020
answer
13
What are the modelling techniques that can be used for simulating microstructure evolution in materials?
May 2, 2020
answer
13
Are there any cases where LDA/GGA overestimates band gaps? If so what is the reason?
May 3, 2020
answer
13
Is there a way to obtain solution-phase dielectric constants?
Apr 29, 2020
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I would like to see more questions about macroscopic methods here, do others agree?
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Does this site cover Computational Fluid Dynamics?
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Why are journals telling me that my article is plagiarized even though I wrote it by myself?
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How does one buy a burnable American flag in Tehran?
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