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All questions asked by user740332

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Integral of a product of Bessel functions of the first kind

1   Mathematics Asked on 11/29/2021

approximate integration  bessel functions  improper integrals  integration  wolfram alpha 

Supercomputers around the world

14   Matter Modeling Asked on 08/19/2021

high performance computing  one topic per answer 

What are the types of pseudopotentials?

2   Matter Modeling Asked on 08/19/2021

density functional theory  one topic per answer  pseudopotentials 

What are the types of ab initio Molecular Dynamics?

3   Matter Modeling Asked on 08/19/2021

ab initio calculations  aimd  molecular dynamics  one topic per answer  terminology 

Are there any MD packages that do proper free energy sampling in the NPT ensemble?

1   Matter Modeling Asked on 08/19/2021

gibbs free energy  molecular dynamics  statistical thermodynamics  thermodynamics 

VASP vs MedeA-VASP

1   Matter Modeling Asked on 08/19/2021

density functional theory  vasp 

Derivation of Slater-Koster equations

2   Matter Modeling Asked on 08/19/2021

electronic structure  quantum mechanics  tight binding 

Berry's curvature and magnetic moment in TMDCs

2   Matter Modeling Asked on 08/19/2021

2d lattice  berry phase  dichalcogenides  transition metals  valleytronics 

Analog computing in matter modeling today: Any applications?

1   Matter Modeling Asked on 08/19/2021

hartree fock  high performance computing  history 

What are the pitfalls for new users of DFT?

4   Matter Modeling Asked on 08/19/2021

density functional theory  one topic per answer 

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