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All questions asked by Leox

List all solved & unsolved questions asked by Leox

Find two-index Inverse relations

1   Mathematics Asked on 02/27/2021

combinatorics  generating functions  stirling numbers 

What thermodynamic data is collected in order to build a CALPHAD model?

3   Matter Modeling Asked on 11/18/2021

calphad  gibbs free energy  thermodynamics 

Is there a way to obtain solution-phase dielectric constants?

1   Matter Modeling Asked on 11/18/2021

dielectric constants  molecular dynamics  solvation  transition metals 

What measured quantity can be associated to the value of the J parameter in the Heisenberg/Ising hamiltonians?

1   Matter Modeling Asked on 11/15/2021

heisenberg model  ising model  magnetism  model hamiltonians  spin models 

How can I calculate the Poisson ratio of an amorphous material with LAMMPS?

1   Matter Modeling Asked on 11/12/2021

amorphous materials  lammps  molecular dynamics 

Examples of matter modeling in fiction

1   Matter Modeling Asked on 11/10/2021

history  reference request 

How is SIESTA and TranSIESTA different from plane wave DFT codes?

1   Matter Modeling Asked on 11/10/2021

density functional theory  siesta  transport 

Supercomputers around the world, which allow access for researchers outside the country

1   Matter Modeling Asked on 11/10/2021

high performance computing 

What ab initio methods are better suited to modelling disorder in materials?

3   Matter Modeling Asked on 11/07/2021

ab initio calculations  density functional theory  disorder  one topic per answer  reference request 

How to interpret molden AO/MO coefficients?

1   Matter Modeling Asked on 11/07/2021

basis sets  molden  molpro  orbitals  software 

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